Pressure-induced phase transitions of piezoelectric single crystals from the langasite family: La₃Nb_0.5Ga_5.5O₁₄ and La₃Ta_0.5Ga_5.5O₁₄

The hydrostatic compression of piezoelectric single crystals of La₃Nb_0.5Ga_5.5O₁₄ (LNG) and La₃Ta_0.5Ga_5.5O₁₄ (LTG) was studied at pressures of up to 23 GPa in diamond-anvil high-pressure cells using single-crystal X-ray diffraction techniques. The reflection-intensity data for LNG and LTG were collected at pressures of up to 22.8 GPa and 16.7 GPa, respectively. Both compounds show anisotropic behaviour under pressure, which is caused by differences in bonding parallel to the a and c directions. The compression of strongly rigid structures leads to increasing internal strains and results, at pressures of 12.4 (3) GPa for LNG and 11.7 (3) GPa for LTG, in a transition to lower symmetry. The compressibilities along the c axis are almost the same for LNG and LTG through the whole investigated pressure range. In contrast, the pressure dependencies of the a axis of these materials are similar only for the initial phase, and the axial compressibilities for the high-pressure polymorphs of LNG and LTG are significantly different to each other. The volume compressibilities of trigonal LNG and LTG (space group P321) are about 0.007 GPa^-1; respective bulk moduli are 145 (3) GPa and 144 (2) GPa. The monoclinic high-pressure phases (space group A2) of LNG and LTG show differing compressions, which can be explained by the substitution of Ta⁵⁺ for Nb⁵⁺. Thus, the bulk moduli for the high-pressure polymorphs of LNG and LTG are B₀ = 93 (2) GPa and B₀ = 128 (12) GPa, respectively. The volume compressibilities of the high-pressure phases at 0.011 GPa^-1 for LNG and 0.008 GPa^-1 for LTG are higher than the initial phases, this effect being more pronounced in the case of LNG.

Computing details

For all compounds, program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997).

Figures

(0.7cad4)

Crystal data

Ga5.54La3O14Ta0.46	V = 298.8 Å^3
Mr = 1110.22	Z = 1
?, ?	F(000) = 488
a = 8.213 Å	Dx = 6.170 Mg m^−3
b = 8.213 Å	Mo Kα radiation, λ = 0.71073 Å
c = 5.115 Å	µ = 27.02 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.077
Graphite monochromator	θmax = 27.9°, θmin = 2.9°
1967 measured reflections	h = −10→10
367 independent reflections	k = −10→10
367 reflections with I > 2σ(I)	l = −5→5

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.042	(Δ/σ)max < 0.001
wR(F^2) = 0.097	Δρmax = 1.55 e Å^−3
S = 0.95	Δρmin = −1.48 e Å^−3
367 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
39 parameters	Extinction coefficient: 0.127 (13)
0 restraints	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: −0.10 (5)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La	0.42586 (11)	0.0000	0.0000	0.0201 (5)
Ga1	0.0000	0.0000	0.0000	0.0195 (6)	0.50
Ta	0.0000	0.0000	0.0000	0.0195 (6)	0.50
Ga2	0.6667	0.3333	0.4687 (6)	0.0189 (7)
Ga3	0.7618 (2)	0.0000	0.5000	0.0202 (6)
O1	0.3333	−0.3333	0.176 (4)	0.025 (4)
O2	0.4518 (14)	0.3056 (16)	0.296 (3)	0.033 (3)
O3	0.2171 (13)	0.0731 (14)	−0.243 (2)	0.031 (2)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La	0.0213 (5)	0.0199 (6)	0.0186 (10)	0.0099 (3)	0.00050 (17)	0.0010 (3)
Ga1	0.0207 (7)	0.0207 (7)	0.0171 (15)	0.0103 (3)	0.000	0.000
Ta	0.0207 (7)	0.0207 (7)	0.0171 (15)	0.0103 (3)	0.000	0.000
Ga2	0.0208 (8)	0.0208 (8)	0.0151 (17)	0.0104 (4)	0.000	0.000
Ga3	0.0204 (7)	0.0212 (11)	0.0192 (17)	0.0106 (6)	−0.0024 (4)	−0.0049 (7)
O1	0.028 (5)	0.028 (5)	0.018 (13)	0.014 (2)	0.000	0.000
O2	0.016 (4)	0.042 (6)	0.040 (10)	0.014 (4)	0.002 (4)	0.013 (5)
O3	0.023 (4)	0.028 (5)	0.045 (7)	0.015 (3)	0.006 (5)	0.013 (5)

Geometric parameters (Å, º)

La—O3	2.424 (9)	Ta—O3^vii	2.004 (10)
La—O3^i	2.424 (9)	Ta—O3	2.004 (10)
La—O2^ii	2.440 (13)	Ta—O3^viii	2.004 (10)
La—O2^iii	2.440 (13)	Ta—O3^ix	2.004 (10)
La—O1	2.608 (7)	Ta—La^vii	3.4976 (9)
La—O1^iv	2.608 (7)	Ta—La^ix	3.4976 (9)
La—O2^i	2.847 (12)	Ga2—O1^x	1.82 (2)
La—O2	2.847 (12)	Ga2—O2	1.882 (10)
La—Ga2^v	3.426 (2)	Ga2—O2^iii	1.882 (10)
La—Ga2	3.426 (2)	Ga2—O2^xi	1.882 (11)
La—Ta	3.4976 (9)	Ga2—La^iv	3.426 (2)
La—Ga1	3.4976 (9)	Ga2—La^xi	3.426 (2)
Ga1—O3^i	2.004 (10)	Ga3—O3^ii	1.833 (10)
Ga1—O3^vi	2.004 (10)	Ga3—O3^xii	1.833 (10)
Ga1—O3^vii	2.004 (10)	Ga3—O2^iii	1.871 (11)
Ga1—O3	2.004 (10)	Ga3—O2^xiii	1.871 (11)
Ga1—O3^viii	2.004 (10)	O1—Ga2^xiv	1.82 (2)
Ga1—O3^ix	2.004 (10)	O1—La^xv	2.608 (7)
Ga1—La^vii	3.4976 (9)	O1—La^v	2.608 (7)
Ga1—La^ix	3.4976 (9)	O2—Ga3^xi	1.871 (11)
Ta—O3^i	2.004 (10)	O2—La^xi	2.440 (13)
Ta—O3^vi	2.004 (10)	O3—Ga3^xvi	1.833 (10)
O3—La—O3^i	67.6 (5)	O3^ix—Ga1—La^ix	42.3 (3)
O3—La—O2^ii	108.6 (4)	La^vii—Ga1—La^ix	120.0
O3^i—La—O2^ii	140.7 (4)	O3^i—Ga1—La	42.3 (3)
O3—La—O2^iii	140.7 (4)	O3^vi—Ga1—La	126.5 (3)
O3^i—La—O2^iii	108.6 (4)	O3^vii—Ga1—La	98.4 (3)
O2^ii—La—O2^iii	97.7 (5)	O3—Ga1—La	42.3 (3)
O3—La—O1	124.5 (3)	O3^viii—Ga1—La	126.5 (3)
O3^i—La—O1	79.8 (3)	O3^ix—Ga1—La	98.4 (3)
O2^ii—La—O1	70.9 (4)	La^vii—Ga1—La	120.0
O2^iii—La—O1	91.1 (3)	La^ix—Ga1—La	120.0
O3—La—O1^iv	79.7 (3)	O3^i—Ta—O3^vi	163.3 (6)
O3^i—La—O1^iv	124.5 (3)	O3^i—Ta—O3^vii	107.0 (6)
O2^ii—La—O1^iv	91.1 (3)	O3^vi—Ta—O3^vii	85.5 (4)
O2^iii—La—O1^iv	70.9 (4)	O3^i—Ta—O3	84.5 (6)
O1—La—O1^iv	153.00 (8)	O3^vi—Ta—O3	85.5 (4)
O3—La—O2^i	65.6 (4)	O3^vii—Ta—O3	85.5 (4)
O3^i—La—O2^i	78.8 (4)	O3^i—Ta—O3^viii	85.5 (4)
O2^ii—La—O2^i	65.5 (4)	O3^vi—Ta—O3^viii	107.0 (6)
O2^iii—La—O2^i	153.72 (17)	O3^vii—Ta—O3^viii	84.5 (6)
O1—La—O2^i	64.9 (4)	O3—Ta—O3^viii	163.3 (6)
O1^iv—La—O2^i	126.6 (4)	O3^i—Ta—O3^ix	85.5 (4)
O3—La—O2	78.8 (4)	O3^vi—Ta—O3^ix	84.5 (6)
O3^i—La—O2	65.6 (4)	O3^vii—Ta—O3^ix	163.3 (6)
O2^ii—La—O2	153.72 (17)	O3—Ta—O3^ix	107.0 (6)
O2^iii—La—O2	65.5 (4)	O3^viii—Ta—O3^ix	85.5 (4)
O1—La—O2	126.6 (4)	O3^i—Ta—La^vii	98.4 (3)
O1^iv—La—O2	64.8 (4)	O3^vi—Ta—La^vii	98.4 (3)
O2^i—La—O2	137.1 (4)	O3^vii—Ta—La^vii	42.3 (3)
O3—La—Ga2^v	86.4 (3)	O3—Ta—La^vii	126.5 (3)
O3^i—La—Ga2^v	111.0 (3)	O3^viii—Ta—La^vii	42.3 (3)
O2^ii—La—Ga2^v	32.2 (2)	O3^ix—Ta—La^vii	126.5 (3)
O2^iii—La—Ga2^v	127.8 (2)	O3^i—Ta—La^ix	126.5 (3)
O1—La—Ga2^v	64.6 (4)	O3^vi—Ta—La^ix	42.3 (3)
O1^iv—La—Ga2^v	110.3 (4)	O3^vii—Ta—La^ix	126.5 (3)
O2^i—La—Ga2^v	33.3 (2)	O3—Ta—La^ix	98.4 (3)
O2—La—Ga2^v	165.0 (2)	O3^viii—Ta—La^ix	98.4 (3)
O3—La—Ga2	111.0 (3)	O3^ix—Ta—La^ix	42.3 (3)
O3^i—La—Ga2	86.4 (3)	La^vii—Ta—La^ix	120.0
O2^ii—La—Ga2	127.8 (2)	O3^i—Ta—La	42.3 (3)
O2^iii—La—Ga2	32.2 (2)	O3^vi—Ta—La	126.5 (3)
O1—La—Ga2	110.3 (4)	O3^vii—Ta—La	98.4 (3)
O1^iv—La—Ga2	64.6 (4)	O3—Ta—La	42.3 (3)
O2^i—La—Ga2	165.0 (2)	O3^viii—Ta—La	126.5 (3)
O2—La—Ga2	33.3 (2)	O3^ix—Ta—La	98.4 (3)
Ga2^v—La—Ga2	159.53 (3)	La^vii—Ta—La	120.0
O3—La—Ta	33.8 (3)	La^ix—Ta—La	120.0
O3^i—La—Ta	33.8 (3)	O1^x—Ga2—O2	118.0 (4)
O2^ii—La—Ta	131.1 (3)	O1^x—Ga2—O2^iii	118.0 (4)
O2^iii—La—Ta	131.1 (3)	O2—Ga2—O2^iii	99.8 (5)
O1—La—Ta	103.50 (4)	O1^x—Ga2—O2^xi	118.0 (4)
O1^iv—La—Ta	103.50 (4)	O2—Ga2—O2^xi	99.8 (5)
O2^i—La—Ta	68.54 (19)	O2^iii—Ga2—O2^xi	99.8 (5)
O2—La—Ta	68.54 (19)	O1^x—Ga2—La	134.40 (4)
Ga2^v—La—Ta	100.237 (15)	O2—Ga2—La	56.2 (4)
Ga2—La—Ta	100.237 (15)	O2^iii—Ga2—La	43.7 (4)
O3—La—Ga1	33.8 (3)	O2^xi—Ga2—La	107.2 (4)
O3^i—La—Ga1	33.8 (3)	O1^x—Ga2—La^iv	134.40 (4)
O2^ii—La—Ga1	131.1 (3)	O2—Ga2—La^iv	107.2 (4)
O2^iii—La—Ga1	131.1 (3)	O2^iii—Ga2—La^iv	56.2 (4)
O1—La—Ga1	103.50 (4)	O2^xi—Ga2—La^iv	43.7 (4)
O1^iv—La—Ga1	103.50 (4)	La—Ga2—La^iv	76.45 (6)
O2^i—La—Ga1	68.54 (19)	O1^x—Ga2—La^xi	134.40 (4)
O2—La—Ga1	68.54 (19)	O2—Ga2—La^xi	43.7 (4)
Ga2^v—La—Ga1	100.237 (15)	O2^iii—Ga2—La^xi	107.2 (4)
Ga2—La—Ga1	100.237 (15)	O2^xi—Ga2—La^xi	56.2 (4)
Ta—La—Ga1	0.0	La—Ga2—La^xi	76.45 (6)
O3^i—Ga1—O3^vi	163.3 (6)	La^iv—Ga2—La^xi	76.45 (6)
O3^i—Ga1—O3^vii	107.0 (6)	O3^ii—Ga3—O3^xii	130.7 (6)
O3^vi—Ga1—O3^vii	85.5 (4)	O3^ii—Ga3—O2^iii	99.7 (5)
O3^i—Ga1—O3	84.5 (6)	O3^xii—Ga3—O2^iii	110.2 (5)
O3^vi—Ga1—O3	85.5 (4)	O3^ii—Ga3—O2^xiii	110.2 (5)
O3^vii—Ga1—O3	85.5 (4)	O3^xii—Ga3—O2^xiii	99.7 (5)
O3^i—Ga1—O3^viii	85.5 (4)	O2^iii—Ga3—O2^xiii	103.8 (7)
O3^vi—Ga1—O3^viii	107.0 (6)	Ga2^xiv—O1—La^xv	110.2 (4)
O3^vii—Ga1—O3^viii	84.5 (6)	Ga2^xiv—O1—La	110.2 (4)
O3—Ga1—O3^viii	163.3 (6)	La^xv—O1—La	108.7 (4)
O3^i—Ga1—O3^ix	85.5 (4)	Ga2^xiv—O1—La^v	110.2 (4)
O3^vi—Ga1—O3^ix	84.5 (6)	La^xv—O1—La^v	108.7 (4)
O3^vii—Ga1—O3^ix	163.3 (6)	La—O1—La^v	108.7 (4)
O3—Ga1—O3^ix	107.0 (6)	Ga3^xi—O2—Ga2	117.3 (7)
O3^viii—Ga1—O3^ix	85.5 (4)	Ga3^xi—O2—La^xi	121.0 (5)
O3^i—Ga1—La^vii	98.4 (3)	Ga2—O2—La^xi	104.1 (5)
O3^vi—Ga1—La^vii	98.4 (3)	Ga3^xi—O2—La	113.0 (5)
O3^vii—Ga1—La^vii	42.3 (3)	Ga2—O2—La	90.5 (4)
O3—Ga1—La^vii	126.5 (3)	La^xi—O2—La	106.4 (5)
O3^viii—Ga1—La^vii	42.3 (3)	Ga3^xvi—O3—Ta	114.0 (5)
O3^ix—Ga1—La^vii	126.5 (3)	Ga3^xvi—O3—Ga1	114.0 (5)
O3^i—Ga1—La^ix	126.5 (3)	Ta—O3—Ga1	0.0
O3^vi—Ga1—La^ix	42.3 (3)	Ga3^xvi—O3—La	137.2 (5)
O3^vii—Ga1—La^ix	126.5 (3)	Ta—O3—La	103.9 (4)
O3—Ga1—La^ix	98.4 (3)	Ga1—O3—La	103.9 (4)
O3^viii—Ga1—La^ix	98.4 (3)

Symmetry codes: (i) x−y, −y, −z; (ii) −x+1, −x+y, −z; (iii) −y+1, x−y, z; (iv) y+1, x, −z; (v) y, x−1, −z; (vi) −y, x−y, z; (vii) −x+y, −x, z; (viii) −x, −x+y, −z; (ix) y, x, −z; (x) y+1, x, −z+1; (xi) −x+y+1, −x+1, z; (xii) −y+1, x−y, z+1; (xiii) −x+1, −x+y, −z+1; (xiv) y, x−1, −z+1; (xv) −x+y+1, −x, z; (xvi) −x+y+1, −x+1, z−1.

(0.8cad4)

Crystal data

Ga5.50La3Nb0.50O14	V = 298.5 Å^3
Mr = 1070.65	Z = 1
?, ?	F(000) = 474
a = 8.202 Å	Dx = 5.957 Mg m^−3
b = 8.202 Å	Mo Kα radiation, λ = 0.71073 Å
c = 5.123 Å	µ = 23.23 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.055
Graphite monochromator	θmax = 31.9°, θmin = 2.9°
1587 measured reflections	h = −12→12
424 independent reflections	k = −11→11
417 reflections with I > 2σ(I)	l = −4→4

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.033	(Δ/σ)max < 0.001
wR(F^2) = 0.110	Δρmax = 1.77 e Å^−3
S = 1.05	Δρmin = −0.91 e Å^−3
424 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
39 parameters	Extinction coefficient: 0.098 (12)
0 restraints	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.01 (10)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La	−0.42528 (12)	0.0000	0.0000	0.0227 (4)
Ga1	0.0000	0.0000	0.0000	0.0235 (10)	0.50
Nb	0.0000	0.0000	0.0000	0.0235 (10)	0.50
Ga2	−0.6667	−0.3333	0.4693 (8)	0.0228 (9)
Ga3	−0.7624 (2)	0.0000	−0.5000	0.0239 (6)
O1	−0.3333	0.3333	0.182 (5)	0.024 (5)
O2	−0.4557 (14)	−0.3083 (14)	0.300 (3)	0.034 (4)
O3	−0.2128 (13)	−0.0708 (18)	−0.240 (3)	0.032 (4)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La	0.0198 (4)	0.0190 (5)	0.0291 (10)	0.0095 (3)	0.0000 (2)	0.0000 (5)
Ga1	0.0206 (10)	0.0206 (10)	0.029 (3)	0.0103 (5)	0.000	0.000
Nb	0.0206 (10)	0.0206 (10)	0.029 (3)	0.0103 (5)	0.000	0.000
Ga2	0.0198 (8)	0.0198 (8)	0.029 (3)	0.0099 (4)	0.000	0.000
Ga3	0.0196 (7)	0.0209 (9)	0.032 (2)	0.0105 (5)	0.0023 (4)	0.0045 (8)
O1	0.019 (4)	0.019 (4)	0.034 (17)	0.009 (2)	0.000	0.000
O2	0.021 (5)	0.025 (5)	0.056 (12)	0.010 (4)	0.000 (5)	−0.006 (5)
O3	0.019 (4)	0.043 (7)	0.043 (12)	0.022 (4)	−0.015 (5)	−0.022 (6)

Bond lengths (Å)

La—O3	2.430 (10)	O2—O3^xiii	3.070 (19)
La—O3^i	2.430 (10)	O2—O1^x	3.12 (3)
La—O2^ii	2.440 (14)	O2—O3	3.40 (2)
La—O2^iii	2.440 (14)	O2—O1^xliv	3.601 (11)
La—O1	2.617 (8)	O2—O2^vii	3.72 (3)
La—O1^iv	2.617 (8)	O2—Ga2^xv	3.741 (12)
La—O2	2.861 (13)	O2—O3^xlv	3.944 (14)
La—O2^i	2.861 (13)	O2—La^xii	4.057 (17)
La—Ga2	3.430 (3)	O2—Ga3^iv	4.269 (11)
La—Ga2^v	3.430 (3)	O2—Ga3^v	4.282 (11)
La—Nb	3.4882 (10)	O2—La^xiii	4.323 (16)
La—Ga1	3.4882 (10)	O2—La^iv	4.350 (12)
Ga1—O3^vi	1.972 (10)	O2—O3^xii	4.348 (15)
Ga1—O3^vii	1.972 (10)	O2—Ga3^xi	4.392 (17)
Ga1—O3^viii	1.972 (10)	O2—Ga3^xiii	4.487 (11)
Ga1—O3	1.972 (10)	O2—O3^xlvi	4.491 (19)
Ga1—O3^i	1.972 (10)	O2—Ga2^xx	4.559 (18)
Ga1—O3^ix	1.972 (10)	O2—La^vii	4.565 (11)
Ga1—La^vii	3.4881 (10)	O2—O3^xi	4.584 (17)
Ga1—La^ix	3.4882 (10)	O2—O2^xxv	4.628 (16)
Ga1—O2^vii	3.643 (12)	O2—O2^xlvii	4.628 (16)
Ga1—O2^vi	3.643 (12)	O2—O3^vi	4.721 (16)
Ga1—O2	3.643 (12)	O2—O2^xxiv	4.84 (2)
Nb—O3^vi	1.972 (10)	O2—O3^viii	4.853 (13)
Nb—O3^vii	1.972 (10)	O2—Ga1^xiii	4.876 (15)
Nb—O3^viii	1.972 (10)	O2—Nb^xiii	4.876 (15)
Nb—O3	1.972 (10)	O2—Ga2^xxiii	4.982 (11)
Nb—O3^i	1.972 (10)	O2—Ga3^xlviii	5.030 (11)
Nb—O3^ix	1.972 (10)	O2—Ga3^xlix	5.040 (11)
Nb—La^vii	3.4881 (10)	O2—O2^xx	5.1230
Nb—La^ix	3.4882 (10)	O2—O2^xiii	5.1230
Nb—O2^vii	3.643 (12)	O2—O2^xlv	5.16 (2)
Nb—O2^vi	3.643 (12)	O2—O2^iii	5.16 (2)
Nb—O2	3.643 (12)	O2—O3^xxxiv	5.186 (15)
Ga2—O1^x	1.79 (2)	O2—O3^xiv	5.271 (15)
Ga2—O2^xi	1.853 (12)	O2—Ga2^vii	5.303 (15)
Ga2—O2	1.853 (12)	O2—O2^i	5.35 (3)
Ga2—O2^ii	1.853 (12)	O2—O2^l	5.333 (17)
Ga2—O1^iv	3.33 (2)	O2—O2^li	5.333 (17)
Ga2—La^xi	3.430 (3)	O2—O3^ix	5.386 (15)
Ga2—La^iv	3.430 (3)	O2—Ga1^lii	5.399 (11)
Ga2—O3^xii	3.562 (10)	O2—Nb^lii	5.399 (11)
Ga2—O3^xiii	3.562 (10)	O2—O3^liii	5.389 (16)
Ga2—O3^xiv	3.562 (10)	O2—La^x	5.425 (14)
Ga2—O2^xv	3.741 (12)	O2—O3^ii	5.468 (18)
Ga3—O3^ii	1.844 (12)	O2—O3^iv	5.487 (15)
Ga3—O3^xvi	1.845 (12)	O2—O3^iii	5.582 (16)
Ga3—O2^xvii	1.884 (13)	O2—La^xv	5.599 (14)
Ga3—O2^iii	1.884 (13)	O2—O3^xv	5.60 (2)
Ga3—O3^xviii	2.608 (14)	O2—O3^xxiv	5.61 (2)
Ga3—O3^xix	2.608 (14)	O2—O1^xlviii	5.74 (2)
Ga3—O1^xx	3.591 (11)	O2—O2^ix	5.722 (18)
Ga3—O1^iv	3.591 (11)	O2—O2^vi	5.722 (18)
Ga3—O3^xxi	3.689 (10)	O2—O2^liii	5.80 (2)
Ga3—O3^xxii	3.689 (10)	O2—O2^liv	5.80 (2)
Ga3—O3^xvii	4.003 (15)	O2—O2^lv	5.855 (9)
Ga3—O3^iii	4.003 (15)	O2—O2^xvii	5.855 (9)
O1—Ga2^xxiii	1.79 (2)	O2—O2^xiv	5.855 (9)
O1—La^v	2.617 (8)	O2—O2^xii	5.855 (9)
O1—La^xix	2.617 (8)	O2—La^xliv	6.002 (11)
O1—O2^i	2.96 (3)	O2—O3^lvi	6.13 (2)
O1—O2^iii	2.96 (3)	O2—O3^xxxix	6.14 (2)
O1—O2^v	2.96 (3)	O2—O2^lvii	6.148 (18)
O1—O2^xxiv	3.12 (3)	O2—O2^lviii	6.148 (18)
O1—O2^xxv	3.12 (3)	O2—O3^xlvii	6.22 (2)
O1—O2^xxiii	3.12 (3)	O2—O1^lii	6.298 (11)
O1—O3^i	3.251 (10)	O2—O3^lix	6.390 (15)
O1—O3^iii	3.251 (10)	O3—Ga3^xi	1.844 (12)
O1—O3^v	3.251 (10)	O3—Ga3^xxix	2.608 (14)
O1—Ga2^v	3.33 (2)	O3—O3^i	2.66 (3)
O1—O2^ii	3.601 (11)	O3—O3^vi	2.667 (15)
O1—O2^ix	3.601 (11)	O3—O3^ix	2.667 (15)
O1—O2^xxvi	3.601 (11)	O3—O3^xxxix	2.84 (3)
O1—Ga3^v	3.591 (11)	O3—O2^vii	2.863 (16)
O1—Ga3^xiii	3.591 (11)	O3—O2^i	2.895 (17)
O1—Ga3^xxvii	3.591 (11)	O3—O2^xx	3.070 (19)
O1—O3	4.463 (15)	O3—O3^vii	3.18 (3)
O1—O3^xix	4.463 (15)	O3—O1^iv	3.251 (10)
O1—O3^xxviii	4.463 (15)	O3—O3^lvi	3.34 (2)
O1—Ga3^xxix	4.736 (18)	O3—Ga2^xx	3.562 (10)
O1—Ga3^xix	4.736 (18)	O3—Ga3^lx	3.689 (10)
O1—Nb^xxi	4.826 (5)	O3—La^xi	3.891 (14)
O1—Ga1^xxi	4.826 (5)	O3—O3^viii	3.90 (2)
O1—Nb^xxvi	4.826 (5)	O3—O2^iii	3.944 (14)
O1—Ga1^xxvi	4.826 (5)	O3—Ga3^xii	4.003 (15)
O1—O2	4.877 (11)	O3—O3^lxi	4.03 (3)
O1—O2^xxviii	4.877 (11)	O3—Ga2^v	4.076 (12)
O1—O2^xix	4.877 (11)	O3—Ga1^xx	4.185 (14)
O1—La^xiii	4.85 (2)	O3—Nb^xx	4.185 (14)
O1—La^xxiii	4.85 (2)	O3—La^vii	4.253 (12)
O1—La^xxvii	4.85 (2)	O3—O2^xvii	4.348 (15)
O1—O3^xiii	4.90 (2)	O3—Ga3^v	4.407 (12)
O1—O3^xxx	4.90 (2)	O3—La^xx	4.419 (13)
O1—O3^xxvii	4.90 (2)	O3—O2^xxxvii	4.491 (19)
O1—O3^ix	4.970 (19)	O3—O2^ii	4.584 (17)
O1—O3^ii	4.970 (19)	O3—Ga2^vii	4.626 (12)
O1—O3^xxvi	4.970 (19)	O3—O2^ix	4.721 (16)
O1—Ga2^xxvi	4.960 (7)	O3—La^v	4.833 (12)
O1—Ga2^xxxi	4.960 (7)	O3—O2^viii	4.853 (13)
O1—O1^xxxii	5.088 (17)	O3—La^ix	4.916 (10)
O1—O1^iv	5.088 (17)	O3—O1^xx	4.90 (2)
O1—O1^v	5.088 (17)	O3—O1^xliv	4.970 (19)
O1—O1^xx	5.1230	O3—O3^xiii	5.1230
O1—O1^xiii	5.1230	O3—O3^xx	5.1230
O1—Ga3^xii	5.374 (7)	O3—Ga3^xlix	5.122 (12)
O1—Ga3^xxxiii	5.374 (7)	O3—O2^lxii	5.186 (15)
O1—Ga3^xxxii	5.374 (7)	O3—O2^lv	5.271 (15)
O1—O3^xxxiv	5.366 (16)	O3—La^lv	5.363 (12)
O1—O3^xiv	5.366 (16)	O3—O2^vi	5.386 (15)
O1—O3^xxxv	5.366 (16)	O3—O1^lxiii	5.366 (16)
O1—O3^viii	5.445 (12)	O3—O2^liv	5.389 (16)
O1—O3^iv	5.445 (12)	O3—O1^v	5.445 (12)
O1—O3^xxxvi	5.445 (12)	O3—O2^xi	5.468 (18)
O1—O2^xvii	5.74 (2)	O3—O2^v	5.487 (15)
O1—O2^xxxvii	5.74 (2)	O3—Ga2^xxiii	5.554 (12)
O1—O2^xxxviii	5.74 (2)	O3—O2^xlv	5.582 (16)
O1—O3^xxxix	5.81 (2)	O3—O3^xi	5.606 (17)
O1—O3^xvi	5.81 (2)	O3—O3^ii	5.606 (17)
O1—O3^xxix	5.81 (2)	O3—O2^xv	5.60 (2)
O1—O1^xl	5.75 (3)	O3—O2^xxiv	5.61 (2)
O1—O1^x	5.75 (3)	O3—Ga2^lxiv	5.637 (13)
O1—O1^xxiii	5.75 (3)	O3—La^lvi	5.632 (12)
O1—O3^vii	5.868 (9)	O3—La^iv	5.734 (10)
O1—O3^xli	5.868 (9)	O3—O1^xviii	5.81 (2)
O1—O3^xlii	5.868 (9)	O3—O3^xlvi	5.776 (7)
O1—La^iv	5.955 (4)	O3—O3^xxxiv	5.776 (7)
O1—La^ix	5.955 (4)	O3—O3^lxii	5.776 (7)
O1—La^xxvi	5.955 (4)	O3—O3^xxxvii	5.776 (7)
O1—O2^xi	6.298 (11)	O3—O1^vii	5.868 (9)
O1—O2^xxxi	6.298 (11)	O3—La^xxix	6.081 (15)
O1—O2^xliii	6.298 (11)	O3—O2^lvi	6.13 (2)
O1—O3^xxiv	6.32 (2)	O3—O2^xxxix	6.14 (2)
O2—Ga3^xii	1.884 (13)	O3—La^xxxvii	6.148 (14)
O2—La^xi	2.440 (14)	O3—O2^xxv	6.22 (2)
O2—O2^xi	2.836 (18)	O3—La^xix	6.242 (10)
O2—O2^ii	2.836 (18)	O3—O3^xlv	6.287 (18)
O2—O3^vii	2.863 (16)	O3—O3^iii	6.287 (18)
O2—O3^i	2.895 (17)	O3—La^lx	6.311 (8)
O2—O1^iv	2.96 (3)	O3—O1^x	6.32 (2)
O2—O2^xv	2.93 (3)	O3—O3^lxv	6.366 (15)

Symmetry codes: (i) x−y, −y, −z; (ii) −y−1, x−y, z; (iii) −x−1, −x+y, −z; (iv) y−1, x, −z; (v) y, x+1, −z; (vi) −y, x−y, z; (vii) y, x, −z; (viii) −x, −x+y, −z; (ix) −x+y, −x, z; (x) y−1, x, −z+1; (xi) −x+y−1, −x−1, z; (xii) −x+y−1, −x−1, z+1; (xiii) x, y, z+1; (xiv) −y−1, x−y, z+1; (xv) y, x, −z+1; (xvi) −x−1, −x+y, −z−1; (xvii) −y−1, x−y, z−1; (xviii) y−1, x, −z−1; (xix) −x+y−1, −x, z; (xx) x, y, z−1; (xxi) x−1, y, z; (xxii) x−y−1, −y, −z−1; (xxiii) y, x+1, −z+1; (xxiv) x−y, −y, −z+1; (xxv) −x−1, −x+y, −z+1; (xxvi) x, y+1, z; (xxvii) −x+y−1, −x, z+1; (xxviii) −y, x−y+1, z; (xxix) y, x+1, −z−1; (xxx) −y, x−y+1, z+1; (xxxi) x+1, y+1, z; (xxxii) y−1, x+1, −z; (xxxiii) x+1, y+1, z+1; (xxxiv) −x+y, −x, z+1; (xxxv) x, y+1, z+1; (xxxvi) x−y, −y+1, −z; (xxxvii) −x+y, −x, z−1; (xxxviii) x, y+1, z−1; (xxxix) x−y, −y, −z−1; (xl) y−1, x+1, −z+1; (xli) x−y−1, −y, −z; (xlii) −x, −x+y+1, −z; (xliii) −y−1, x−y+1, z; (xliv) x, y−1, z; (xlv) −x−1, −x+y−1, −z; (xlvi) −y, x−y, z+1; (xlvii) −x−1, −x+y−1, −z+1; (xlviii) x, y−1, z+1; (xlix) x+1, y, z+1; (l) x−y−1, −y−1, −z+1; (li) x−y, −y−1, −z+1; (lii) x−1, y−1, z; (liii) x−y−1, −y−1, −z; (liv) x−y, −y−1, −z; (lv) −x+y−1, −x−1, z−1; (lvi) y, x, −z−1; (lvii) −y−1, x−y−1, z; (lviii) −x+y, −x−1, z; (lix) −y−1, x−y−1, z+1; (lx) x+1, y, z; (lxi) −x, −x+y, −z−1; (lxii) −y, x−y, z−1; (lxiii) x, y−1, z−1; (lxiv) x+1, y+1, z−1; (lxv) −x−1, −x+y−1, −z−1.

(1.8d3)

Crystal data

Ga5.50La3Nb0.50O14	V = 296.9 Å^3
Mr = 1070.65	Z = 1
?, ?	F(000) = 474
a = 8.188 Å	Dx = 5.989 Mg m^−3
b = 8.188 Å	? radiation, λ = 0.65030 Å
c = 5.113 Å	µ = 23.35 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.000
Graphite monochromator	θmax = 27.4°, θmin = 4.5°
403 measured reflections	h = −11→11
403 independent reflections	k = −7→7
400 reflections with I > 2σ(I)	l = −7→7

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.065P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.032	(Δ/σ)max < 0.001
wR(F^2) = 0.071	Δρmax = 1.52 e Å^−3
S = 0.93	Δρmin = −1.29 e Å^−3
403 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
39 parameters	Extinction coefficient: 0.235 (15)
0 restraints	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.02 (4)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La	−0.42575 (8)	0.0000	0.0000	0.0093 (3)
Ga1	0.0000	0.0000	0.0000	0.0106 (5)	0.50
Nb	0.0000	0.0000	0.0000	0.0106 (5)	0.50
Ga2	−0.6667	−0.3333	0.4690 (2)	0.0087 (4)
Ga3	−0.76283 (17)	0.0000	−0.5000	0.0107 (3)
O1	−0.3333	0.3333	0.1768 (16)	0.0103 (17)
O2	−0.6919 (10)	−0.1467 (9)	0.3064 (10)	0.0138 (11)
O3	−0.2185 (8)	−0.0765 (10)	−0.2378 (11)	0.0141 (14)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La	0.0108 (3)	0.0087 (4)	0.0075 (3)	0.00436 (18)	−0.00022 (9)	−0.00043 (18)
Ga1	0.0130 (6)	0.0130 (6)	0.0060 (7)	0.0065 (3)	0.000	0.000
Nb	0.0130 (6)	0.0130 (6)	0.0060 (7)	0.0065 (3)	0.000	0.000
Ga2	0.0101 (5)	0.0101 (5)	0.0059 (5)	0.0050 (2)	0.000	0.000
Ga3	0.0102 (5)	0.0111 (7)	0.0111 (5)	0.0056 (3)	0.00239 (17)	0.0048 (3)
O1	0.013 (3)	0.013 (3)	0.005 (3)	0.0064 (13)	0.000	0.000
O2	0.024 (3)	0.016 (3)	0.011 (2)	0.017 (3)	0.0053 (19)	0.0025 (18)
O3	0.011 (3)	0.019 (3)	0.0155 (19)	0.010 (2)	−0.006 (3)	−0.011 (3)

Geometric parameters (Å, º)

La—O3^i	2.411 (6)	Nb—O3^vii	1.988 (5)
La—O3	2.411 (6)	Nb—O3	1.988 (5)
La—O2^i	2.455 (7)	Nb—O3^viii	1.988 (5)
La—O2	2.455 (7)	Nb—O3^i	1.988 (5)
La—O1^ii	2.603 (3)	Nb—La^vi	3.4860 (7)
La—O1	2.603 (3)	Nb—La^viii	3.4860 (7)
La—O2^iii	2.877 (6)	Ga2—O2^iii	1.840 (6)
La—O2^iv	2.877 (6)	Ga2—O2	1.840 (6)
La—Ga2	3.4215 (8)	Ga2—O2^ix	1.840 (6)
La—Ga2^iv	3.4216 (8)	Ga2—O1^x	1.811 (9)
La—Ga1	3.4861 (7)	Ga2—La^iii	3.4215 (8)
La—Nb	3.4861 (7)	Ga2—La^ii	3.4215 (8)
Ga1—O3^v	1.988 (5)	Ga3—O3^ix	1.831 (6)
Ga1—O3^vi	1.988 (5)	Ga3—O3^xi	1.831 (6)
Ga1—O3^vii	1.988 (5)	Ga3—O2^xii	1.859 (6)
Ga1—O3	1.988 (5)	Ga3—O2^i	1.859 (6)
Ga1—O3^viii	1.988 (5)	O1—Ga2^xiii	1.811 (9)
Ga1—O3^i	1.988 (5)	O1—La^iv	2.603 (3)
Ga1—La^vi	3.4860 (7)	O1—La^xiv	2.603 (3)
Ga1—La^viii	3.4860 (7)	O2—Ga3^xv	1.860 (6)
Nb—O3^v	1.988 (5)	O2—La^ii	2.877 (6)
Nb—O3^vi	1.988 (5)	O3—Ga3^iii	1.830 (6)
O3^i—La—O3	67.0 (2)	O3^i—Ga1—La^viii	97.8 (2)
O3^i—La—O2^i	139.7 (2)	La^vi—Ga1—La^viii	120.0
O3—La—O2^i	108.03 (19)	O3^v—Ga1—La	127.4 (2)
O3^i—La—O2	108.03 (19)	O3^vi—Ga1—La	97.8 (2)
O3—La—O2	139.7 (2)	O3^vii—Ga1—La	127.4 (2)
O2^i—La—O2	100.0 (3)	O3—Ga1—La	42.05 (16)
O3^i—La—O1^ii	125.05 (17)	O3^viii—Ga1—La	97.8 (2)
O3—La—O1^ii	79.35 (17)	O3^i—Ga1—La	42.05 (16)
O2^i—La—O1^ii	90.74 (19)	La^vi—Ga1—La	120.0
O2—La—O1^ii	71.7 (2)	La^viii—Ga1—La	120.0
O3^i—La—O1	79.35 (17)	O3^v—Nb—O3^vi	84.1 (3)
O3—La—O1	125.05 (17)	O3^v—Nb—O3^vii	105.2 (4)
O2^i—La—O1	71.7 (2)	O3^vi—Nb—O3^vii	86.5 (2)
O2—La—O1	90.74 (19)	O3^v—Nb—O3	86.5 (2)
O1^ii—La—O1	152.98 (4)	O3^vi—Nb—O3	105.2 (4)
O3^i—La—O2^iii	66.4 (2)	O3^vii—Nb—O3	164.5 (4)
O3—La—O2^iii	78.88 (19)	O3^v—Nb—O3^viii	86.5 (2)
O2^i—La—O2^iii	153.90 (11)	O3^vi—Nb—O3^viii	164.5 (4)
O2—La—O2^iii	63.9 (3)	O3^vii—Nb—O3^viii	84.1 (3)
O1^ii—La—O2^iii	65.32 (19)	O3—Nb—O3^viii	86.5 (2)
O1—La—O2^iii	125.7 (2)	O3^v—Nb—O3^i	164.5 (4)
O3^i—La—O2^iv	78.88 (19)	O3^vi—Nb—O3^i	86.5 (2)
O3—La—O2^iv	66.4 (2)	O3^vii—Nb—O3^i	86.5 (2)
O2^i—La—O2^iv	63.9 (3)	O3—Nb—O3^i	84.1 (3)
O2—La—O2^iv	153.90 (11)	O3^viii—Nb—O3^i	105.2 (4)
O1^ii—La—O2^iv	125.7 (2)	O3^v—Nb—La^vi	42.05 (16)
O1—La—O2^iv	65.32 (19)	O3^vi—Nb—La^vi	42.05 (16)
O2^iii—La—O2^iv	138.3 (2)	O3^vii—Nb—La^vi	97.8 (2)
O3^i—La—Ga2	87.14 (16)	O3—Nb—La^vi	97.8 (2)
O3—La—Ga2	110.25 (16)	O3^viii—Nb—La^vi	127.4 (2)
O2^i—La—Ga2	128.73 (14)	O3^i—Nb—La^vi	127.4 (2)
O2—La—Ga2	31.34 (14)	O3^v—Nb—La^viii	97.8 (2)
O1^ii—La—Ga2	64.82 (18)	O3^vi—Nb—La^viii	127.4 (2)
O1—La—Ga2	110.03 (16)	O3^vii—Nb—La^viii	42.05 (16)
O2^iii—La—Ga2	32.52 (12)	O3—Nb—La^viii	127.4 (2)
O2^iv—La—Ga2	165.83 (12)	O3^viii—Nb—La^viii	42.05 (16)
O3^i—La—Ga2^iv	110.25 (16)	O3^i—Nb—La^viii	97.8 (2)
O3—La—Ga2^iv	87.14 (16)	La^vi—Nb—La^viii	120.0
O2^i—La—Ga2^iv	31.34 (14)	O3^v—Nb—La	127.4 (2)
O2—La—Ga2^iv	128.73 (14)	O3^vi—Nb—La	97.8 (2)
O1^ii—La—Ga2^iv	110.03 (16)	O3^vii—Nb—La	127.4 (2)
O1—La—Ga2^iv	64.82 (18)	O3—Nb—La	42.05 (16)
O2^iii—La—Ga2^iv	165.83 (12)	O3^viii—Nb—La	97.8 (2)
O2^iv—La—Ga2^iv	32.53 (12)	O3^i—Nb—La	42.05 (16)
Ga2—La—Ga2^iv	159.53 (2)	La^vi—Nb—La	120.0
O3^i—La—Ga1	33.52 (13)	La^viii—Nb—La	120.0
O3—La—Ga1	33.52 (12)	O2^iii—Ga2—O2	101.2 (2)
O2^i—La—Ga1	130.01 (14)	O2^iii—Ga2—O2^ix	101.2 (2)
O2—La—Ga1	130.01 (14)	O2—Ga2—O2^ix	101.2 (2)
O1^ii—La—Ga1	103.51 (2)	O2^iii—Ga2—O1^x	116.86 (17)
O1—La—Ga1	103.51 (2)	O2—Ga2—O1^x	116.86 (17)
O2^iii—La—Ga1	69.16 (12)	O2^ix—Ga2—O1^x	116.86 (17)
O2^iv—La—Ga1	69.16 (12)	O2^iii—Ga2—La^iii	44.0 (2)
Ga2—La—Ga1	100.235 (11)	O2—Ga2—La^iii	108.14 (17)
Ga2^iv—La—Ga1	100.235 (11)	O2^ix—Ga2—La^iii	57.2 (2)
O3^i—La—Nb	33.52 (13)	O1^x—Ga2—La^iii	134.495 (13)
O3—La—Nb	33.52 (12)	O2^iii—Ga2—La	57.2 (2)
O2^i—La—Nb	130.01 (14)	O2—Ga2—La	44.0 (2)
O2—La—Nb	130.01 (14)	O2^ix—Ga2—La	108.14 (17)
O1^ii—La—Nb	103.51 (2)	O1^x—Ga2—La	134.495 (14)
O1—La—Nb	103.51 (2)	La^iii—Ga2—La	76.30 (2)
O2^iii—La—Nb	69.16 (12)	O2^iii—Ga2—La^ii	108.14 (17)
O2^iv—La—Nb	69.16 (12)	O2—Ga2—La^ii	57.2 (2)
Ga2—La—Nb	100.235 (11)	O2^ix—Ga2—La^ii	44.0 (2)
Ga2^iv—La—Nb	100.235 (11)	O1^x—Ga2—La^ii	134.495 (13)
Ga1—La—Nb	0.0	La^iii—Ga2—La^ii	76.30 (2)
O3^v—Ga1—O3^vi	84.1 (3)	La—Ga2—La^ii	76.30 (2)
O3^v—Ga1—O3^vii	105.2 (4)	O3^ix—Ga3—O3^xi	132.7 (4)
O3^vi—Ga1—O3^vii	86.5 (2)	O3^ix—Ga3—O2^xii	109.7 (3)
O3^v—Ga1—O3	86.5 (2)	O3^xi—Ga3—O2^xii	99.9 (3)
O3^vi—Ga1—O3	105.2 (4)	O3^ix—Ga3—O2^i	99.9 (3)
O3^vii—Ga1—O3	164.5 (4)	O3^xi—Ga3—O2^i	109.7 (3)
O3^v—Ga1—O3^viii	86.5 (2)	O2^xii—Ga3—O2^i	101.1 (4)
O3^vi—Ga1—O3^viii	164.5 (4)	Ga2^xiii—O1—La	110.33 (17)
O3^vii—Ga1—O3^viii	84.1 (3)	Ga2^xiii—O1—La^iv	110.32 (17)
O3—Ga1—O3^viii	86.5 (2)	La—O1—La^iv	108.61 (18)
O3^v—Ga1—O3^i	164.5 (4)	Ga2^xiii—O1—La^xiv	110.32 (17)
O3^vi—Ga1—O3^i	86.5 (2)	La—O1—La^xiv	108.61 (18)
O3^vii—Ga1—O3^i	86.5 (2)	La^iv—O1—La^xiv	108.60 (18)
O3—Ga1—O3^i	84.1 (3)	Ga2—O2—Ga3^xv	119.8 (3)
O3^viii—Ga1—O3^i	105.2 (4)	Ga2—O2—La	104.7 (3)
O3^v—Ga1—La^vi	42.05 (16)	Ga3^xv—O2—La	120.7 (3)
O3^vi—Ga1—La^vi	42.05 (16)	Ga2—O2—La^ii	90.3 (2)
O3^vii—Ga1—La^vi	97.8 (2)	Ga3^xv—O2—La^ii	111.7 (3)
O3—Ga1—La^vi	97.8 (2)	La—O2—La^ii	104.62 (18)
O3^viii—Ga1—La^vi	127.4 (2)	Ga3^iii—O3—Nb	114.4 (3)
O3^i—Ga1—La^vi	127.4 (2)	Ga3^iii—O3—Ga1	114.4 (3)
O3^v—Ga1—La^viii	97.8 (2)	Nb—O3—Ga1	0.0
O3^vi—Ga1—La^viii	127.4 (2)	Ga3^iii—O3—La	137.7 (3)
O3^vii—Ga1—La^viii	42.05 (16)	Nb—O3—La	104.4 (2)
O3—Ga1—La^viii	127.4 (2)	Ga1—O3—La	104.4 (2)
O3^viii—Ga1—La^viii	42.05 (16)

Symmetry codes: (i) x−y, −y, −z; (ii) y−1, x, −z; (iii) −x+y−1, −x−1, z; (iv) y, x+1, −z; (v) −y, x−y, z; (vi) y, x, −z; (vii) −x, −x+y, −z; (viii) −x+y, −x, z; (ix) −y−1, x−y, z; (x) y−1, x, −z+1; (xi) −x−1, −x+y, −z−1; (xii) x, y, z−1; (xiii) y, x+1, −z+1; (xiv) −x+y−1, −x, z; (xv) x, y, z+1.

(11.57split)

Crystal data

Ga5.54La3O14Ta0.46	V = 277.1 Å^3
Mr = 1110.22	Z = 1
?, ?	F(000) = 488
a = 7.981 Å	Dx = 6.653 Mg m^−3
b = 7.981 Å	Ag Kα radiation, λ = 0.56000 Å
c = 5.024 Å	µ = 15.38 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.000
Graphite monochromator	θmax = 23.0°, θmin = 3.2°
434 measured reflections	h = −10→10
434 independent reflections	k = −11→11
433 reflections with I > 2σ(I)	l = −6→6

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.049	(Δ/σ)max < 0.001
wR(F^2) = 0.145	Δρmax = 2.92 e Å^−3
S = 1.25	Δρmin = −2.57 e Å^−3
434 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
35 parameters	Extinction coefficient: 0.024 (8)
0 restraints	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.13 (12)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La	−0.43460 (18)	0.0000	0.0000	0.0173 (4)
Ga1	0.0000	0.0000	0.0000	0.0217 (6)	0.50
Ta	0.0000	0.0000	0.0000	0.0217 (6)	0.50
Ga2	−0.6667	−0.3333	0.4793 (5)	0.0160 (6)
Ga3	0.0000	0.2339 (3)	0.5000	0.0169 (5)
O1	−0.3333	0.3333	0.162 (3)	0.013 (3)*
O2	−0.719 (2)	−0.168 (2)	0.293 (3)	0.018 (4)*	0.76 (4)
O22	−0.516 (6)	0.108 (6)	−0.386 (8)	0.008 (10)*	0.24 (4)
O3	−0.146 (3)	0.081 (3)	0.237 (2)	0.040 (4)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La	0.0244 (6)	0.0131 (6)	0.0107 (6)	0.0065 (3)	−0.0013 (2)	−0.0027 (5)
Ga1	0.0294 (9)	0.0294 (9)	0.0061 (9)	0.0147 (4)	0.000	0.000
Ta	0.0294 (9)	0.0294 (9)	0.0061 (9)	0.0147 (4)	0.000	0.000
Ga2	0.0179 (8)	0.0179 (8)	0.0122 (12)	0.0090 (4)	0.000	0.000
Ga3	0.0206 (12)	0.0186 (8)	0.0121 (9)	0.0103 (6)	−0.0086 (9)	−0.0043 (4)

Geometric parameters (Å, º)

La—O22^i	2.34 (4)	Ta—Ga3^vii	3.1297 (16)
La—O22	2.34 (4)	Ta—Ga3^xi	3.1297 (16)
La—O3	2.380 (17)	Ga2—O22^ii	1.72 (4)
La—O3^i	2.380 (17)	Ga2—O22^xii	1.72 (4)
La—O2	2.463 (16)	Ga2—O22^i	1.72 (4)
La—O2^i	2.463 (16)	Ga2—O1^xiii	1.804 (17)
La—O1^ii	2.498 (5)	Ga2—O2^iii	1.828 (15)
La—O1	2.498 (5)	Ga2—O2	1.828 (15)
La—O2^iii	2.637 (17)	Ga2—O2^xiv	1.828 (15)
La—O2^iv	2.637 (17)	Ga2—La^iii	3.3732 (17)
La—Ga2	3.3732 (17)	Ga2—La^ii	3.3732 (17)
La—Ga2^iv	3.3732 (17)	Ga2—La^xv	3.5246 (18)
Ga1—O3^v	1.982 (15)	Ga2—La^xvi	3.5246 (18)
Ga1—O3^i	1.982 (15)	Ga3—O3^xvii	1.781 (15)
Ga1—O3	1.982 (15)	Ga3—O3	1.781 (15)
Ga1—O3^vi	1.982 (15)	Ga3—O2^xviii	1.877 (15)
Ga1—O3^vii	1.982 (15)	Ga3—O2^xix	1.877 (15)
Ga1—O3^viii	1.982 (15)	Ga3—O22^xx	1.83 (4)
Ga1—La^vii	3.4683 (15)	Ga3—O22^iv	1.83 (4)
Ga1—La^vi	3.4683 (15)	Ga3—Ta^xvi	3.1296 (16)
Ta—O3^v	1.982 (15)	O1—Ga2^xix	1.804 (17)
Ta—O3^i	1.982 (15)	O1—La^iv	2.498 (5)
Ta—O3	1.982 (15)	O1—La^xxi	2.498 (5)
Ta—O3^vi	1.982 (15)	O2—O22^i	0.81 (4)
Ta—O3^vii	1.982 (15)	O2—Ga3^xiii	1.877 (15)
Ta—O3^viii	1.982 (15)	O2—La^ii	2.637 (17)
Ta—Ga3^v	3.1296 (16)	O22—O2^i	0.81 (4)
Ta—Ga3	3.1296 (16)	O22—Ga2^iv	1.72 (4)
Ta—Ga3^ix	3.1296 (16)	O22—O22^xxii	1.88 (8)
Ta—Ga3^x	3.1296 (16)	O22—Ga3^ii	1.83 (4)
O22^i—La—O22	125 (2)	O3^v—Ta—Ga3^vii	113.8 (5)
O22^i—La—O3	92.6 (11)	O3^i—Ta—Ga3^vii	88.0 (4)
O22—La—O3	136.3 (10)	O3—Ta—Ga3^vii	158.1 (4)
O22^i—La—O3^i	136.3 (10)	O3^vi—Ta—Ga3^vii	96.4 (4)
O22—La—O3^i	92.6 (11)	O3^vii—Ta—Ga3^vii	31.7 (5)
O3—La—O3^i	67.0 (6)	O3^viii—Ta—Ga3^vii	56.0 (5)
O22^i—La—O2	19.2 (11)	Ga3^v—Ta—Ga3^vii	145.30 (3)
O22—La—O2	110.3 (11)	Ga3—Ta—Ga3^vii	145.30 (3)
O3—La—O2	110.7 (5)	Ga3^ix—Ta—Ga3^vii	62.20 (7)
O3^i—La—O2	136.8 (6)	Ga3^x—Ta—Ga3^vii	106.77 (8)
O22^i—La—O2^i	110.3 (11)	O3^v—Ta—Ga3^xi	158.1 (4)
O22—La—O2^i	19.2 (10)	O3^i—Ta—Ga3^xi	56.0 (5)
O3—La—O2^i	136.8 (6)	O3—Ta—Ga3^xi	96.4 (4)
O3^i—La—O2^i	110.7 (5)	O3^vi—Ta—Ga3^xi	113.8 (5)
O2—La—O2^i	99.1 (7)	O3^vii—Ta—Ga3^xi	88.0 (4)
O22^i—La—O1^ii	83.0 (11)	O3^viii—Ta—Ga3^xi	31.7 (5)
O22—La—O1^ii	86.0 (10)	Ga3^v—Ta—Ga3^xi	145.30 (3)
O3—La—O1^ii	123.6 (4)	Ga3—Ta—Ga3^xi	106.77 (8)
O3^i—La—O1^ii	78.2 (4)	Ga3^ix—Ta—Ga3^xi	62.20 (7)
O2—La—O1^ii	67.9 (5)	Ga3^x—Ta—Ga3^xi	145.30 (3)
O2^i—La—O1^ii	96.0 (4)	Ga3^vii—Ta—Ga3^xi	62.20 (7)
O22^i—La—O1	86.0 (10)	O22^ii—Ga2—O22^xii	112.9 (11)
O22—La—O1	83.0 (11)	O22^ii—Ga2—O22^i	112.9 (11)
O3—La—O1	78.2 (4)	O22^xii—Ga2—O22^i	112.9 (11)
O3^i—La—O1	123.6 (4)	O22^ii—Ga2—O1^xiii	105.8 (13)
O2—La—O1	96.0 (4)	O22^xii—Ga2—O1^xiii	105.8 (13)
O2^i—La—O1	67.9 (5)	O22^i—Ga2—O1^xiii	105.8 (13)
O1^ii—La—O1	155.88 (9)	O22^ii—Ga2—O2^iii	121.7 (15)
O22^i—La—O2^iii	58.5 (10)	O22^xii—Ga2—O2^iii	26.2 (15)
O22—La—O2^iii	150.9 (10)	O22^i—Ga2—O2^iii	87.4 (15)
O3—La—O2^iii	64.9 (6)	O1^xiii—Ga2—O2^iii	120.8 (5)
O3^i—La—O2^iii	77.7 (5)	O22^ii—Ga2—O2	87.4 (15)
O2—La—O2^iii	64.3 (7)	O22^xii—Ga2—O2	121.7 (15)
O2^i—La—O2^iii	158.2 (2)	O22^i—Ga2—O2	26.2 (15)
O1^ii—La—O2^iii	65.3 (4)	O1^xiii—Ga2—O2	120.8 (5)
O1—La—O2^iii	125.3 (4)	O2^iii—Ga2—O2	96.1 (6)
O22^i—La—O2^iv	150.9 (10)	O22^ii—Ga2—O2^xiv	26.2 (15)
O22—La—O2^iv	58.5 (10)	O22^xii—Ga2—O2^xiv	87.4 (15)
O3—La—O2^iv	77.7 (5)	O22^i—Ga2—O2^xiv	121.7 (15)
O3^i—La—O2^iv	64.9 (6)	O1^xiii—Ga2—O2^xiv	120.8 (5)
O2—La—O2^iv	158.2 (2)	O2^iii—Ga2—O2^xiv	96.1 (6)
O2^i—La—O2^iv	64.3 (7)	O2—Ga2—O2^xiv	96.1 (6)
O1^ii—La—O2^iv	125.3 (4)	O22^ii—Ga2—La^iii	77.1 (14)
O1—La—O2^iv	65.3 (4)	O22^xii—Ga2—La^iii	40.3 (13)
O2^iii—La—O2^iv	135.1 (6)	O22^i—Ga2—La^iii	113.8 (13)
O22^i—La—Ga2	28.3 (9)	O1^xiii—Ga2—La^iii	135.55 (3)
O22—La—Ga2	137.6 (9)	O2^iii—Ga2—La^iii	45.4 (5)
O3—La—Ga2	86.2 (4)	O2—Ga2—La^iii	103.6 (5)
O3^i—La—Ga2	109.0 (4)	O2^xiv—Ga2—La^iii	51.0 (5)
O2—La—Ga2	31.9 (3)	O22^ii—Ga2—La	113.8 (13)
O2^i—La—Ga2	130.4 (4)	O22^xii—Ga2—La	77.1 (14)
O1^ii—La—Ga2	64.5 (4)	O22^i—Ga2—La	40.3 (13)
O1—La—Ga2	111.4 (3)	O1^xiii—Ga2—La	135.55 (3)
O2^iii—La—Ga2	32.6 (3)	O2^iii—Ga2—La	51.0 (5)
O2^iv—La—Ga2	163.9 (3)	O2—Ga2—La	45.4 (5)
O22^i—La—Ga2^iv	137.6 (9)	O2^xiv—Ga2—La	103.6 (5)
O22—La—Ga2^iv	28.3 (9)	La^iii—Ga2—La	74.67 (4)
O3—La—Ga2^iv	109.0 (4)	O22^ii—Ga2—La^ii	40.3 (13)
O3^i—La—Ga2^iv	86.2 (4)	O22^xii—Ga2—La^ii	113.8 (13)
O2—La—Ga2^iv	130.4 (4)	O22^i—Ga2—La^ii	77.1 (14)
O2^i—La—Ga2^iv	31.9 (3)	O1^xiii—Ga2—La^ii	135.55 (3)
O1^ii—La—Ga2^iv	111.4 (3)	O2^iii—Ga2—La^ii	103.6 (5)
O1—La—Ga2^iv	64.5 (4)	O2—Ga2—La^ii	51.0 (5)
O2^iii—La—Ga2^iv	163.9 (3)	O2^xiv—Ga2—La^ii	45.4 (5)
O2^iv—La—Ga2^iv	32.6 (3)	La^iii—Ga2—La^ii	74.67 (4)
Ga2—La—Ga2^iv	162.20 (5)	La—Ga2—La^ii	74.67 (4)
O3^v—Ga1—O3^i	103.5 (10)	O22^ii—Ga2—La^xv	100.0 (13)
O3^v—Ga1—O3	87.7 (6)	O22^xii—Ga2—La^xv	70.0 (14)
O3^i—Ga1—O3	83.0 (9)	O22^i—Ga2—La^xv	140.7 (14)
O3^v—Ga1—O3^vi	87.7 (6)	O1^xiii—Ga2—La^xv	42.08 (3)
O3^i—Ga1—O3^vi	165.0 (11)	O2^iii—Ga2—La^xv	93.4 (5)
O3—Ga1—O3^vi	87.7 (6)	O2—Ga2—La^xv	162.6 (5)
O3^v—Ga1—O3^vii	83.0 (9)	O2^xiv—Ga2—La^xv	97.3 (5)
O3^i—Ga1—O3^vii	87.7 (6)	La^iii—Ga2—La^xv	93.471 (8)
O3—Ga1—O3^vii	165.1 (11)	La—Ga2—La^xv	139.862 (5)
O3^vi—Ga1—O3^vii	103.5 (10)	La^ii—Ga2—La^xv	139.862 (5)
O3^v—Ga1—O3^viii	165.1 (11)	O22^ii—Ga2—La^xvi	140.7 (14)
O3^i—Ga1—O3^viii	87.7 (6)	O22^xii—Ga2—La^xvi	100.0 (13)
O3—Ga1—O3^viii	103.5 (10)	O22^i—Ga2—La^xvi	70.0 (14)
O3^vi—Ga1—O3^viii	83.0 (9)	O1^xiii—Ga2—La^xvi	42.08 (3)
O3^vii—Ga1—O3^viii	87.7 (6)	O2^iii—Ga2—La^xvi	97.3 (5)
O3^v—Ga1—La^vii	41.5 (5)	O2—Ga2—La^xvi	93.3 (5)
O3^i—Ga1—La^vii	97.5 (5)	O2^xiv—Ga2—La^xvi	162.6 (5)
O3—Ga1—La^vii	128.2 (5)	La^iii—Ga2—La^xvi	139.863 (5)
O3^vi—Ga1—La^vii	97.5 (5)	La—Ga2—La^xvi	93.469 (8)
O3^vii—Ga1—La^vii	41.5 (5)	La^ii—Ga2—La^xvi	139.860 (5)
O3^viii—Ga1—La^vii	128.2 (5)	La^xv—Ga2—La^xvi	70.96 (4)
O3^v—Ga1—La	97.5 (5)	O3^xvii—Ga3—O3	137.9 (10)
O3^i—Ga1—La	41.5 (5)	O3^xvii—Ga3—O2^xviii	105.3 (7)
O3—Ga1—La	41.5 (5)	O3—Ga3—O2^xviii	97.9 (7)
O3^vi—Ga1—La	128.2 (5)	O3^xvii—Ga3—O2^xix	97.9 (7)
O3^vii—Ga1—La	128.2 (5)	O3—Ga3—O2^xix	105.3 (7)
O3^viii—Ga1—La	97.5 (5)	O2^xviii—Ga3—O2^xix	112.2 (11)
La^vii—Ga1—La	120.0	O3^xvii—Ga3—O22^xx	107.9 (13)
O3^v—Ga1—La^vi	128.2 (5)	O3—Ga3—O22^xx	108.0 (14)
O3^i—Ga1—La^vi	128.2 (5)	O2^xviii—Ga3—O22^xx	87.0 (15)
O3—Ga1—La^vi	97.5 (5)	O2^xix—Ga3—O22^xx	25.3 (14)
O3^vi—Ga1—La^vi	41.5 (5)	O3^xvii—Ga3—O22^iv	108.0 (14)
O3^vii—Ga1—La^vi	97.5 (5)	O3—Ga3—O22^iv	107.9 (13)
O3^viii—Ga1—La^vi	41.5 (5)	O2^xviii—Ga3—O22^iv	25.3 (14)
La^vii—Ga1—La^vi	120.0	O2^xix—Ga3—O22^iv	87.0 (15)
La—Ga1—La^vi	120.0	O22^xx—Ga3—O22^iv	62 (3)
O3^v—Ta—O3^i	103.5 (10)	O3^xvii—Ga3—Ta^xvi	35.8 (5)
O3^v—Ta—O3	87.7 (6)	O3—Ga3—Ta^xvi	112.5 (5)
O3^i—Ta—O3	83.0 (9)	O2^xviii—Ga3—Ta^xvi	141.0 (5)
O3^v—Ta—O3^vi	87.7 (6)	O2^xix—Ga3—Ta^xvi	83.6 (5)
O3^i—Ta—O3^vi	165.0 (11)	O22^xx—Ga3—Ta^xvi	105.1 (13)
O3—Ta—O3^vi	87.7 (6)	O22^iv—Ga3—Ta^xvi	139.6 (13)
O3^v—Ta—O3^vii	83.0 (9)	O3^xvii—Ga3—Ta	112.5 (5)
O3^i—Ta—O3^vii	87.7 (6)	O3—Ga3—Ta	35.8 (5)
O3—Ta—O3^vii	165.1 (11)	O2^xviii—Ga3—Ta	83.6 (5)
O3^vi—Ta—O3^vii	103.5 (10)	O2^xix—Ga3—Ta	141.0 (5)
O3^v—Ta—O3^viii	165.1 (11)	O22^xx—Ga3—Ta	139.6 (13)
O3^i—Ta—O3^viii	87.7 (6)	O22^iv—Ga3—Ta	105.1 (13)
O3—Ta—O3^viii	103.5 (10)	Ta^xvi—Ga3—Ta	106.77 (8)
O3^vi—Ta—O3^viii	83.0 (9)	Ga2^xix—O1—La^iv	109.0 (4)
O3^vii—Ta—O3^viii	87.7 (6)	Ga2^xix—O1—La	109.0 (4)
O3^v—Ta—Ga3^v	31.7 (5)	La^iv—O1—La	110.0 (4)
O3^i—Ta—Ga3^v	96.4 (4)	Ga2^xix—O1—La^xxi	109.0 (4)
O3—Ta—Ga3^v	56.0 (5)	La^iv—O1—La^xxi	110.0 (4)
O3^vi—Ta—Ga3^v	88.0 (4)	La—O1—La^xxi	110.0 (4)
O3^vii—Ta—Ga3^v	113.8 (5)	O22^i—O2—Ga2	69 (3)
O3^viii—Ta—Ga3^v	158.1 (4)	O22^i—O2—Ga3^xiii	74 (3)
O3^v—Ta—Ga3	88.0 (4)	Ga2—O2—Ga3^xiii	115.6 (8)
O3^i—Ta—Ga3	113.8 (5)	O22^i—O2—La	72 (3)
O3—Ta—Ga3	31.7 (5)	Ga2—O2—La	102.6 (7)
O3^vi—Ta—Ga3	56.0 (5)	Ga3^xiii—O2—La	113.7 (7)
O3^vii—Ta—Ga3	158.1 (4)	O22^i—O2—La^ii	164 (3)
O3^viii—Ta—Ga3	96.4 (4)	Ga2—O2—La^ii	96.4 (6)
Ga3^v—Ta—Ga3	62.20 (7)	Ga3^xiii—O2—La^ii	119.4 (8)
O3^v—Ta—Ga3^ix	96.4 (4)	La—O2—La^ii	106.6 (5)
O3^i—Ta—Ga3^ix	31.7 (5)	O2^i—O22—Ga2^iv	85 (3)
O3—Ta—Ga3^ix	113.8 (5)	O2^i—O22—O22^xxii	139 (3)
O3^vi—Ta—Ga3^ix	158.1 (4)	Ga2^iv—O22—O22^xxii	124 (3)
O3^vii—Ta—Ga3^ix	56.0 (5)	O2^i—O22—Ga3^ii	81 (3)
O3^viii—Ta—Ga3^ix	88.0 (4)	Ga2^iv—O22—Ga3^ii	124 (2)
Ga3^v—Ta—Ga3^ix	106.77 (8)	O22^xxii—O22—Ga3^ii	59.0 (14)
Ga3—Ta—Ga3^ix	145.30 (3)	O2^i—O22—La	89 (3)
O3^v—Ta—Ga3^x	56.0 (5)	Ga2^iv—O22—La	111.4 (18)
O3^i—Ta—Ga3^x	158.1 (4)	O22^xxii—O22—La	104 (3)
O3—Ta—Ga3^x	88.0 (4)	Ga3^ii—O22—La	121.5 (19)
O3^vi—Ta—Ga3^x	31.7 (5)	Ga3—O3—Ta	112.4 (9)
O3^vii—Ta—Ga3^x	96.4 (4)	Ga3—O3—Ga1	112.4 (9)
O3^viii—Ta—Ga3^x	113.8 (5)	Ta—O3—Ga1	0.0
Ga3^v—Ta—Ga3^x	62.20 (7)	Ga3—O3—La	140.2 (8)
Ga3—Ta—Ga3^x	62.20 (7)	Ta—O3—La	105.0 (5)
Ga3^ix—Ta—Ga3^x	145.30 (3)	Ga1—O3—La	105.0 (5)

Symmetry codes: (i) x−y, −y, −z; (ii) y−1, x, −z; (iii) −x+y−1, −x−1, z; (iv) y, x+1, −z; (v) −y, x−y, z; (vi) −x+y, −x, z; (vii) y, x, −z; (viii) −x, −x+y, −z; (ix) −y, x−y, z−1; (x) y, x, −z+1; (xi) x, y, z−1; (xii) −x−1, −x+y−1, −z; (xiii) y−1, x, −z+1; (xiv) −y−1, x−y, z; (xv) −x+y−1, −x−1, z+1; (xvi) x, y, z+1; (xvii) −x, −x+y, −z+1; (xviii) −y, x−y+1, z; (xix) y, x+1, −z+1; (xx) −y, x−y+1, z+1; (xxi) −x+y−1, −x, z; (xxii) x−y, −y, −z−1.

(11.57d3)

Crystal data

Ga5.54La3O14Ta0.46	V = 277.1 Å^3
Mr = 1110.22	Z = 1
?, ?	F(000) = 488
a = 7.981 Å	Dx = 6.653 Mg m^−3
b = 7.981 Å	Ag Kα radiation, λ = 0.56000 Å
c = 5.024 Å	µ = 15.38 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.000
Graphite monochromator	θmax = 23.0°, θmin = 3.2°
434 measured reflections	h = −10→10
434 independent reflections	k = −11→11
433 reflections with I > 2σ(I)	l = −6→6

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.049	(Δ/σ)max < 0.001
wR(F^2) = 0.150	Δρmax = 2.63 e Å^−3
S = 1.30	Δρmin = −2.91 e Å^−3
434 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
39 parameters	Extinction coefficient: 0.024 (8)
0 restraints	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.14 (13)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La	−0.43463 (19)	0.0000	0.0000	0.0176 (5)
Ga1	0.0000	0.0000	0.0000	0.0215 (7)	0.50
Ta	0.0000	0.0000	0.0000	0.0215 (7)	0.50
Ga2	−0.6667	−0.3333	0.4795 (5)	0.0159 (7)
Ga3	0.0000	0.2341 (4)	0.5000	0.0171 (6)
O1	−0.3333	0.3333	0.162 (3)	0.013 (3)
O2	−0.704 (4)	−0.157 (3)	0.309 (3)	0.064 (8)
O3	−0.148 (2)	0.077 (3)	0.238 (2)	0.041 (4)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La	0.0251 (7)	0.0127 (6)	0.0107 (7)	0.0063 (3)	−0.0013 (2)	−0.0027 (5)
Ga1	0.0288 (9)	0.0288 (9)	0.0068 (10)	0.0144 (4)	0.000	0.000
Ta	0.0288 (9)	0.0288 (9)	0.0068 (10)	0.0144 (4)	0.000	0.000
Ga2	0.0181 (9)	0.0181 (9)	0.0114 (13)	0.0091 (4)	0.000	0.000
Ga3	0.0225 (13)	0.0180 (9)	0.0121 (10)	0.0112 (7)	−0.0082 (10)	−0.0041 (5)
O1	0.016 (5)	0.016 (5)	0.008 (6)	0.008 (2)	0.000	0.000
O2	0.13 (2)	0.056 (12)	0.049 (9)	0.075 (15)	0.071 (13)	0.044 (9)
O3	0.025 (7)	0.049 (11)	0.041 (8)	0.014 (9)	−0.025 (7)	−0.029 (9)

Geometric parameters (Å, º)

La—O3^i	2.376 (14)	Ta—Ga3^ix	3.1305 (17)
La—O3	2.376 (14)	Ta—Ga3^v	3.1305 (17)
La—O2	2.430 (19)	Ta—Ga3	3.1305 (17)
La—O2^i	2.430 (19)	Ta—Ga3^x	3.1305 (17)
La—O1	2.499 (5)	Ta—Ga3^vi	3.1305 (17)
La—O1^ii	2.499 (5)	Ta—Ga3^xi	3.1306 (17)
La—O2^iii	2.77 (2)	Ga2—O1^xii	1.801 (17)
La—O2^iv	2.77 (2)	Ga2—O2^xiii	1.793 (16)
La—Ga2	3.3738 (18)	Ga2—O2	1.793 (16)
La—Ga2^iv	3.3738 (18)	Ga2—O2^iii	1.793 (16)
La—Ga1	3.4685 (15)	Ga2—La^iii	3.3737 (18)
La—Ta	3.4685 (15)	Ga2—La^ii	3.3738 (18)
Ga1—O3^v	1.979 (16)	Ga2—La^xiv	3.5240 (18)
Ga1—O3^vi	1.979 (16)	Ga2—La^xv	3.5240 (18)
Ga1—O3^vii	1.979 (16)	Ga2—La^xii	3.5240 (18)
Ga1—O3^viii	1.979 (16)	Ga3—O3^xvi	1.793 (12)
Ga1—O3^i	1.979 (16)	Ga3—O3	1.793 (12)
Ga1—O3	1.979 (16)	Ga3—O2^xvii	1.835 (15)
Ga1—La^v	3.4685 (15)	Ga3—O2^xviii	1.835 (15)
Ga1—La^vii	3.4685 (15)	Ga3—Ta^xv	3.1305 (17)
Ta—O3^v	1.979 (16)	O1—Ga2^xviii	1.801 (17)
Ta—O3^vi	1.979 (16)	O1—La^iv	2.499 (5)
Ta—O3^vii	1.979 (16)	O1—La^xix	2.499 (5)
Ta—O3^viii	1.979 (16)	O2—Ga3^xii	1.835 (15)
Ta—O3^i	1.979 (16)	O2—La^ii	2.77 (2)
Ta—O3	1.979 (16)
O3^i—La—O3	66.8 (7)	O3^v—Ta—Ga3^v	32.1 (4)
O3^i—La—O2	138.0 (6)	O3^vi—Ta—Ga3^v	113.6 (4)
O3—La—O2	107.6 (7)	O3^vii—Ta—Ga3^v	97.0 (5)
O3^i—La—O2^i	107.6 (7)	O3^viii—Ta—Ga3^v	55.3 (5)
O3—La—O2^i	138.0 (6)	O3^i—Ta—Ga3^v	87.9 (4)
O2—La—O2^i	102.4 (10)	O3—Ta—Ga3^v	158.8 (5)
O3^i—La—O1	123.0 (5)	Ga3^ix—Ta—Ga3^v	106.72 (8)
O3—La—O1	78.7 (5)	O3^v—Ta—Ga3	158.8 (5)
O2—La—O1	94.3 (4)	O3^vi—Ta—Ga3	87.9 (4)
O2^i—La—O1	70.4 (5)	O3^vii—Ta—Ga3	55.3 (5)
O3^i—La—O1^ii	78.7 (5)	O3^viii—Ta—Ga3	97.0 (5)
O3—La—O1^ii	123.0 (5)	O3^i—Ta—Ga3	113.6 (4)
O2—La—O1^ii	70.4 (5)	O3—Ta—Ga3	32.1 (4)
O2^i—La—O1^ii	94.3 (4)	Ga3^ix—Ta—Ga3	62.24 (7)
O1—La—O1^ii	155.89 (9)	Ga3^v—Ta—Ga3	145.28 (4)
O3^i—La—O2^iii	78.7 (5)	O3^v—Ta—Ga3^x	55.3 (5)
O3—La—O2^iii	64.7 (6)	O3^vi—Ta—Ga3^x	97.0 (5)
O2—La—O2^iii	62.9 (7)	O3^vii—Ta—Ga3^x	158.8 (5)
O2^i—La—O2^iii	157.3 (3)	O3^viii—Ta—Ga3^x	87.9 (4)
O1—La—O2^iii	125.2 (4)	O3^i—Ta—Ga3^x	32.1 (4)
O1^ii—La—O2^iii	65.1 (4)	O3—Ta—Ga3^x	113.6 (4)
O3^i—La—O2^iv	64.7 (6)	Ga3^ix—Ta—Ga3^x	145.28 (4)
O3—La—O2^iv	78.7 (5)	Ga3^v—Ta—Ga3^x	62.24 (7)
O2—La—O2^iv	157.3 (3)	Ga3—Ta—Ga3^x	145.28 (4)
O2^i—La—O2^iv	62.9 (7)	O3^v—Ta—Ga3^vi	113.6 (4)
O1—La—O2^iv	65.1 (4)	O3^vi—Ta—Ga3^vi	32.1 (4)
O1^ii—La—O2^iv	125.2 (4)	O3^vii—Ta—Ga3^vi	87.9 (4)
O2^iii—La—O2^iv	136.2 (7)	O3^viii—Ta—Ga3^vi	158.8 (5)
O3^i—La—Ga2	109.6 (4)	O3^i—Ta—Ga3^vi	97.0 (5)
O3—La—Ga2	85.6 (4)	O3—Ta—Ga3^vi	55.3 (5)
O2—La—Ga2	30.9 (4)	Ga3^ix—Ta—Ga3^vi	62.24 (7)
O2^i—La—Ga2	131.6 (5)	Ga3^v—Ta—Ga3^vi	145.28 (4)
O1—La—Ga2	111.4 (3)	Ga3—Ta—Ga3^vi	62.24 (7)
O1^ii—La—Ga2	64.6 (4)	Ga3^x—Ta—Ga3^vi	106.72 (8)
O2^iii—La—Ga2	32.1 (3)	O3^v—Ta—Ga3^xi	87.9 (4)
O2^iv—La—Ga2	164.3 (3)	O3^vi—Ta—Ga3^xi	158.8 (5)
O3^i—La—Ga2^iv	85.6 (4)	O3^vii—Ta—Ga3^xi	113.6 (4)
O3—La—Ga2^iv	109.6 (4)	O3^viii—Ta—Ga3^xi	32.1 (4)
O2—La—Ga2^iv	131.6 (5)	O3^i—Ta—Ga3^xi	55.3 (5)
O2^i—La—Ga2^iv	30.9 (4)	O3—Ta—Ga3^xi	97.0 (5)
O1—La—Ga2^iv	64.6 (4)	Ga3^ix—Ta—Ga3^xi	145.28 (4)
O1^ii—La—Ga2^iv	111.4 (3)	Ga3^v—Ta—Ga3^xi	62.24 (7)
O2^iii—La—Ga2^iv	164.3 (3)	Ga3—Ta—Ga3^xi	106.72 (8)
O2^iv—La—Ga2^iv	32.1 (3)	Ga3^x—Ta—Ga3^xi	62.24 (7)
Ga2—La—Ga2^iv	162.21 (5)	Ga3^vi—Ta—Ga3^xi	145.28 (4)
O3^i—La—Ga1	33.4 (4)	O1^xii—Ga2—O2^xiii	118.6 (5)
O3—La—Ga1	33.4 (4)	O1^xii—Ga2—O2	118.6 (5)
O2—La—Ga1	128.8 (5)	O2^xiii—Ga2—O2	99.0 (6)
O2^i—La—Ga1	128.8 (5)	O1^xii—Ga2—O2^iii	118.6 (5)
O1—La—Ga1	102.05 (4)	O2^xiii—Ga2—O2^iii	99.0 (6)
O1^ii—La—Ga1	102.05 (4)	O2—Ga2—O2^iii	99.0 (6)
O2^iii—La—Ga1	68.1 (4)	O1^xii—Ga2—La^iii	135.56 (3)
O2^iv—La—Ga1	68.1 (4)	O2^xiii—Ga2—La^iii	55.0 (8)
Ga2—La—Ga1	98.90 (3)	O2—Ga2—La^iii	105.5 (5)
Ga2^iv—La—Ga1	98.90 (3)	O2^iii—Ga2—La^iii	44.1 (7)
O3^i—La—Ta	33.4 (4)	O1^xii—Ga2—La	135.56 (3)
O3—La—Ta	33.4 (4)	O2^xiii—Ga2—La	105.5 (5)
O2—La—Ta	128.8 (5)	O2—Ga2—La	44.1 (7)
O2^i—La—Ta	128.8 (5)	O2^iii—Ga2—La	55.0 (8)
O1—La—Ta	102.05 (4)	La^iii—Ga2—La	74.65 (5)
O1^ii—La—Ta	102.05 (4)	O1^xii—Ga2—La^ii	135.56 (3)
O2^iii—La—Ta	68.1 (4)	O2^xiii—Ga2—La^ii	44.1 (7)
O2^iv—La—Ta	68.1 (4)	O2—Ga2—La^ii	55.0 (8)
Ga2—La—Ta	98.90 (3)	O2^iii—Ga2—La^ii	105.5 (5)
Ga2^iv—La—Ta	98.90 (3)	La^iii—Ga2—La^ii	74.65 (5)
Ga1—La—Ta	0.0	La—Ga2—La^ii	74.65 (5)
O3^v—Ga1—O3^vi	82.7 (7)	O1^xii—Ga2—La^xiv	42.09 (3)
O3^v—Ga1—O3^vii	105.1 (11)	O2^xiii—Ga2—La^xiv	97.6 (6)
O3^vi—Ga1—O3^vii	87.3 (6)	O2—Ga2—La^xiv	159.8 (6)
O3^v—Ga1—O3^viii	87.3 (6)	O2^iii—Ga2—La^xiv	89.7 (7)
O3^vi—Ga1—O3^viii	163.7 (10)	La^iii—Ga2—La^xiv	93.473 (8)
O3^vii—Ga1—O3^viii	82.7 (7)	La—Ga2—La^xiv	139.863 (5)
O3^v—Ga1—O3^i	87.3 (6)	La^ii—Ga2—La^xiv	139.864 (5)
O3^vi—Ga1—O3^i	105.1 (11)	O1^xii—Ga2—La^xv	42.09 (3)
O3^vii—Ga1—O3^i	163.7 (10)	O2^xiii—Ga2—La^xv	159.8 (6)
O3^viii—Ga1—O3^i	87.3 (6)	O2—Ga2—La^xv	89.7 (7)
O3^v—Ga1—O3	163.7 (10)	O2^iii—Ga2—La^xv	97.6 (6)
O3^vi—Ga1—O3	87.3 (6)	La^iii—Ga2—La^xv	139.864 (5)
O3^vii—Ga1—O3	87.3 (6)	La—Ga2—La^xv	93.472 (9)
O3^viii—Ga1—O3	105.0 (11)	La^ii—Ga2—La^xv	139.862 (5)
O3^i—Ga1—O3	82.7 (7)	La^xiv—Ga2—La^xv	70.97 (4)
O3^v—Ga1—La^v	41.4 (4)	O1^xii—Ga2—La^xii	42.09 (3)
O3^vi—Ga1—La^v	41.4 (4)	O2^xiii—Ga2—La^xii	89.7 (7)
O3^vii—Ga1—La^v	98.2 (5)	O2—Ga2—La^xii	97.6 (6)
O3^viii—Ga1—La^v	127.5 (5)	O2^iii—Ga2—La^xii	159.8 (6)
O3^i—Ga1—La^v	98.2 (5)	La^iii—Ga2—La^xii	139.864 (5)
O3—Ga1—La^v	127.5 (5)	La—Ga2—La^xii	139.863 (5)
O3^v—Ga1—La	127.5 (5)	La^ii—Ga2—La^xii	93.471 (8)
O3^vi—Ga1—La	98.2 (5)	La^xiv—Ga2—La^xii	70.97 (4)
O3^vii—Ga1—La	127.5 (5)	La^xv—Ga2—La^xii	70.97 (4)
O3^viii—Ga1—La	98.2 (5)	O3^xvi—Ga3—O3	136.5 (12)
O3^i—Ga1—La	41.4 (4)	O3^xvi—Ga3—O2^xvii	105.9 (8)
O3—Ga1—La	41.4 (4)	O3—Ga3—O2^xvii	100.3 (7)
La^v—Ga1—La	120.0	O3^xvi—Ga3—O2^xviii	100.3 (7)
O3^v—Ga1—La^vii	98.2 (5)	O3—Ga3—O2^xviii	105.9 (8)
O3^vi—Ga1—La^vii	127.5 (5)	O2^xvii—Ga3—O2^xviii	104.6 (17)
O3^vii—Ga1—La^vii	41.4 (4)	O3^xvi—Ga3—Ta^xv	35.9 (5)
O3^viii—Ga1—La^vii	41.4 (4)	O3—Ga3—Ta^xv	111.6 (6)
O3^i—Ga1—La^vii	127.5 (5)	O2^xvii—Ga3—Ta^xv	141.7 (5)
O3—Ga1—La^vii	98.2 (5)	O2^xviii—Ga3—Ta^xv	86.8 (7)
La^v—Ga1—La^vii	120.0	O3^xvi—Ga3—Ta	111.6 (6)
La—Ga1—La^vii	120.0	O3—Ga3—Ta	35.9 (5)
O3^v—Ta—O3^vi	82.7 (7)	O2^xvii—Ga3—Ta	86.8 (7)
O3^v—Ta—O3^vii	105.1 (11)	O2^xviii—Ga3—Ta	141.7 (5)
O3^vi—Ta—O3^vii	87.3 (6)	Ta^xv—Ga3—Ta	106.72 (8)
O3^v—Ta—O3^viii	87.3 (6)	Ga2^xviii—O1—La^iv	109.0 (4)
O3^vi—Ta—O3^viii	163.7 (10)	Ga2^xviii—O1—La	109.0 (4)
O3^vii—Ta—O3^viii	82.7 (7)	La^iv—O1—La	109.9 (3)
O3^v—Ta—O3^i	87.3 (6)	Ga2^xviii—O1—La^xix	109.0 (4)
O3^vi—Ta—O3^i	105.1 (11)	La^iv—O1—La^xix	109.9 (3)
O3^vii—Ta—O3^i	163.7 (10)	La—O1—La^xix	109.9 (3)
O3^viii—Ta—O3^i	87.3 (6)	Ga2—O2—Ga3^xii	119.5 (8)
O3^v—Ta—O3	163.7 (10)	Ga2—O2—La	105.0 (10)
O3^vi—Ta—O3	87.3 (6)	Ga3^xii—O2—La	116.8 (9)
O3^vii—Ta—O3	87.3 (6)	Ga2—O2—La^ii	93.0 (8)
O3^viii—Ta—O3	105.0 (11)	Ga3^xii—O2—La^ii	115.3 (12)
O3^i—Ta—O3	82.7 (7)	La—O2—La^ii	103.7 (5)
O3^v—Ta—Ga3^ix	97.0 (5)	Ga3—O3—Ta	112.1 (8)
O3^vi—Ta—Ga3^ix	55.3 (5)	Ga3—O3—Ga1	112.1 (8)
O3^vii—Ta—Ga3^ix	32.1 (4)	Ta—O3—Ga1	0.0
O3^viii—Ta—Ga3^ix	113.6 (4)	Ga3—O3—La	139.6 (9)
O3^i—Ta—Ga3^ix	158.8 (5)	Ta—O3—La	105.2 (5)
O3—Ta—Ga3^ix	87.9 (4)	Ga1—O3—La	105.2 (5)

Symmetry codes: (i) x−y, −y, −z; (ii) y−1, x, −z; (iii) −x+y−1, −x−1, z; (iv) y, x+1, −z; (v) y, x, −z; (vi) −y, x−y, z; (vii) −x+y, −x, z; (viii) −x, −x+y, −z; (ix) y, x, −z+1; (x) −y, x−y, z−1; (xi) x, y, z−1; (xii) y−1, x, −z+1; (xiii) −y−1, x−y, z; (xiv) −x+y−1, −x−1, z+1; (xv) x, y, z+1; (xvi) −x, −x+y, −z+1; (xvii) −y, x−y+1, z; (xviii) y, x+1, −z+1; (xix) −x+y−1, −x, z.

(11.57d3a2)

Crystal data

Ga11La6O28Ta	V = 554.2 Å^3
Mr = 2229.33	Z = 1
?, ?	F(000) = 980
a = 5.024 Å	Dx = 6.680 Mg m^−3
b = 7.980 Å	Ag Kα radiation, λ = 0.56000 Å
c = 13.823 Å	µ = 15.54 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 90°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.053
Graphite monochromator	θmax = 23.0°, θmin = 3.2°
840 measured reflections	h = −6→6
667 independent reflections	k = −6→7
667 reflections with I > 2σ(I)	l = −19→18

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.049	(Δ/σ)max = 0.083
wR(F^2) = 0.136	Δρmax = 1.68 e Å^−3
S = 1.23	Δρmin = −1.81 e Å^−3
667 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
75 parameters	Extinction coefficient: 0.0061 (13)
1 restraint	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: −0.04 (10)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La1	−0.0016 (6)	0.7834 (3)	0.2182 (3)	0.0207 (10)
La2	0.0000	0.4339 (5)	0.0000	0.0191 (15)
Ga1	0.0000	−0.0016 (9)	0.0000	0.0257 (11)	0.50
Ta	0.0000	−0.0016 (9)	0.0000	0.0257 (11)	0.50
Ga2	0.4799 (4)	0.4993 (11)	0.1669 (8)	0.0186 (9)
Ga3	−0.5000	0.7627 (12)	0.0000	0.023 (3)
Ga4	0.4964 (14)	0.6183 (10)	0.3848 (6)	0.0169 (12)
O1	0.164 (3)	0.013 (6)	0.334 (4)	0.011 (4)*
O2	0.286 (7)	0.640 (6)	0.089 (4)	0.022 (9)*
O3	0.298 (5)	0.057 (4)	0.776 (3)	0.005 (6)*
O4	0.379 (9)	0.282 (7)	0.182 (5)	0.061 (12)*
O5	0.254 (8)	0.857 (7)	0.920 (4)	0.025 (10)*
O6	0.206 (5)	0.986 (3)	0.1197 (19)	0.007 (4)*
O7	0.255 (10)	0.179 (8)	0.978 (4)	0.036 (13)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La1	0.0124 (10)	0.0014 (14)	0.048 (3)	−0.0010 (11)	−0.0023 (16)	−0.0049 (11)
La2	0.0111 (17)	0.016 (2)	0.030 (4)	0.000	0.002 (2)	0.000
Ga1	0.0094 (8)	0.010 (3)	0.058 (5)	0.000	0.001 (2)	0.000
Ta	0.0094 (8)	0.010 (3)	0.058 (5)	0.000	0.001 (2)	0.000
Ga2	0.0132 (10)	0.006 (3)	0.037 (5)	0.000 (2)	0.001 (3)	0.008 (4)
Ga3	0.012 (4)	0.001 (4)	0.055 (9)	0.000	−0.012 (4)	0.000
Ga4	0.0137 (19)	0.014 (3)	0.023 (4)	−0.0011 (19)	0.015 (3)	−0.006 (3)

Bond lengths (Å)

La1—O6	2.36 (3)	O2—La2^xviii	4.13 (4)
La1—O5^i	2.37 (5)	O2—La1^xviii	4.16 (4)
La1—O3^ii	2.48 (3)	O2—La1^xiii	4.16 (5)
La1—O4^iii	2.34 (5)	O2—Ga4^xv	4.32 (5)
La1—O1^iv	2.57 (5)	O2—O7^xxvii	4.44 (8)
La1—O1^iii	2.41 (5)	O2—O3^xxxviii	4.35 (3)
La1—O2	2.57 (4)	O2—O4^xvii	3.76 (8)
La1—O3^v	2.64 (3)	O2—Ga2^xix	4.34 (4)
La1—Ga2^iii	3.357 (7)	O2—O6^xxxvii	4.74 (5)
La1—Ga2	3.390 (7)	O2—O7^i	4.67 (8)
La1—Ta^iv	3.470 (5)	O2—O1^iv	4.55 (7)
La1—Ga1^iv	3.470 (5)	O2—La1^vii	4.62 (5)
La2—O7^i	2.42 (6)	O2—O6^vii	4.69 (5)
La2—O7^vi	2.42 (6)	O2—Ga2^xvii	4.58 (5)
La2—O1^iii	2.52 (5)	O2—O4^xxxvii	5.00 (8)
La2—O1^ii	2.52 (5)	O2—Ga1^xxxix	4.75 (4)
La2—O2	2.51 (5)	O2—Ta^xxxix	4.75 (4)
La2—O2^vii	2.51 (5)	O2—O7^xl	4.57 (8)
La2—O4^vii	3.38 (6)	O2—Ga4^ii	4.86 (5)
La2—O4	3.38 (6)	O2—O3^v	4.81 (3)
La2—Ga2	3.378 (8)	O2—O6^xv	4.93 (5)
La2—Ga2^vii	3.378 (8)	O2—O4^iii	4.74 (7)
La2—Ga1	3.475 (8)	O2—O2^xviii	5.0240 (2)
La2—Ta	3.475 (8)	O2—O2^xix	5.0240 (2)
Ga1—O5^viii	2.03 (5)	O2—O7^xxxviii	4.97 (8)
Ga1—O5^ix	2.03 (5)	O2—Ga4^xii	5.14 (5)
Ga1—O6^x	1.96 (2)	O2—O4^iv	5.30 (7)
Ga1—O6^xi	1.96 (2)	O2—O4^vii	5.77 (7)
Ga1—O7^vi	1.95 (6)	O2—La1^xv	5.31 (4)
Ga1—O7^i	1.95 (6)	O2—Ga2^vii	5.34 (4)
Ga1—O4^vii	3.89 (6)	O2—Ga4^iii	5.49 (4)
Ga1—O4	3.89 (6)	O2—La1^xxxvii	5.68 (4)
Ga1—O2^x	3.43 (5)	O2—O1^xli	5.74 (5)
Ga1—O2^xi	3.43 (5)	O2—O4^xix	5.53 (7)
Ga1—La1^x	3.470 (5)	O2—O4^xviii	6.32 (6)
Ga1—La1^xi	3.470 (5)	O2—La1^iii	5.96 (5)
Ta—O5^viii	2.03 (5)	O2—La1^xii	6.04 (5)
Ta—O5^ix	2.03 (5)	O2—O4^ii	5.75 (8)
Ta—O6^x	1.96 (2)	O2—O1^xxxix	6.31 (6)
Ta—O6^xi	1.96 (2)	O2—O4^xlii	6.57 (7)
Ta—O7^vi	1.95 (6)	O2—O2^xv	6.36 (7)
Ta—O7^i	1.95 (6)	O2—O2^xvii	6.36 (7)
Ta—Ga4^xii	3.110 (7)	O2—O1^xxii	6.72 (5)
Ta—Ga4^xiii	3.110 (7)	O2—O4^xliii	7.17 (7)
Ta—Ga3^xi	3.138 (8)	O2—O2^xiii	6.64 (7)
Ta—Ga3^xiv	3.138 (8)	O2—O2^iii	6.64 (7)
Ta—Ga4^xv	3.139 (8)	O2—O1^xliii	6.93 (8)
Ta—Ga4^xvi	3.139 (8)	O2—O1^xlii	7.11 (7)
Ga2—O1^xvii	1.793 (15)	O2—O4^xxi	6.98 (6)
Ga2—O3^ii	1.82 (3)	O2—O1^xxi	7.22 (5)
Ga2—O2	1.84 (5)	O2—O4^xxxix	7.62 (7)
Ga2—O4	1.82 (6)	O2—O1^xliv	7.40 (6)
Ga2—O1^iii	3.236 (14)	O2—O1^xlv	7.57 (6)
Ga2—La1^xiii	3.357 (7)	O2—O1^xlvi	7.43 (3)
Ga2—La2^xviii	3.525 (7)	O2—O1^xviii	7.48 (6)
Ga2—La1^xv	3.516 (7)	O3—Ga2^xxvi	1.82 (3)
Ga2—La1^xviii	3.525 (7)	O3—Ga4^xxvi	1.87 (3)
Ga2—O4^xvii	3.15 (7)	O3—La1^xxvi	2.48 (3)
Ga3—O2^vii	1.90 (4)	O3—La1^viii	2.64 (3)
Ga3—O2^xix	1.90 (4)	O3—O2^xxvi	2.67 (5)
Ga3—O5^i	1.82 (5)	O3—O4^xxvi	2.58 (6)
Ga3—O5^xx	1.82 (5)	O3—O1^i	2.79 (5)
Ga3—Ta^iv	3.138 (8)	O3—O4^xxvii	2.49 (6)
Ga3—Ta^xxi	3.138 (8)	O3—O1^xxvii	3.12 (4)
Ga3—O1^xxii	3.48 (5)	O3—O1^xxiv	3.79 (6)
Ga3—O1^iii	3.48 (5)	O3—O4^i	3.89 (5)
Ga3—O2^xxiii	4.25 (4)	O3—O2^xxxi	4.35 (3)
Ga3—O2	4.25 (4)	O4—Ga4^xv	1.72 (6)
Ga3—O4^vii	4.63 (6)	O4—La1^xiii	2.34 (5)
Ga3—O4^xix	4.63 (6)	O4—O6^xi	2.66 (6)
Ga4—O4^xvii	1.72 (6)	O4—O7^vi	3.00 (9)
Ga4—O7^ii	1.84 (5)	O4—O7^xxvii	2.99 (7)
Ga4—O6^xv	1.83 (3)	O4—O3^ii	2.58 (6)
Ga4—O3^ii	1.87 (3)	O4—O3^xxvii	2.49 (6)
Ga4—Ta^xxiv	3.110 (7)	O4—O1^iii	3.30 (6)
Ga4—Ta^xxv	3.139 (8)	O4—O1^xvii	2.95 (6)
Ga4—O1^iv	3.63 (5)	O4—O7^i	3.97 (8)
Ga4—O1^xvii	3.57 (5)	O4—Ga2^xv	3.15 (7)
Ga4—O4^xxiv	4.36 (6)	O4—O3^i	3.89 (5)
Ga4—O2^xv	3.99 (5)	O4—La1^xv	3.42 (5)
Ga4—O2	4.23 (5)	O4—Ga4^xii	4.36 (6)
Ga4—O2^xvii	4.32 (5)	O4—O5^xii	3.40 (9)
O1—Ga2^xv	1.793 (15)	O4—O5^xxxi	4.11 (7)
O1—La1^xi	2.57 (5)	O4—La2^xviii	4.19 (6)
O1—La2^xxvi	2.52 (5)	O4—O6^xv	3.81 (6)
O1—La1^xiii	2.41 (5)	O4—Ga4^xiii	4.68 (5)
O1—O3^i	2.79 (5)	O4—O4^xxxvii	5.18 (13)
O1—O2^xiii	2.70 (5)	O4—O2^xv	3.76 (8)
O1—O4^xiii	3.30 (6)	O4—Ga3^xviii	4.63 (6)
O1—O7^xii	3.36 (8)	O4—La1^xi	4.44 (6)
O1—O6^xi	2.97 (6)	O4—O5^viii	4.86 (6)
O1—O3^xxvii	3.12 (4)	O4—O5^ix	5.00 (8)
O1—O4^xv	2.95 (6)	O4—Ga2^xix	4.84 (5)
O1—O2^xv	3.13 (5)	O4—Ta^xviii	4.61 (5)
O1—O5^xii	3.03 (8)	O4—Ga1^xviii	4.61 (5)
O1—Ga2^xiii	3.236 (14)	O4—O6^xiii	4.33 (6)
O1—Ga4^xi	3.63 (5)	O4—O2^xxxvii	5.00 (8)
O1—Ga3^xxviii	3.48 (5)	O4—O1^ii	5.27 (8)
O1—Ga4^xv	3.57 (5)	O4—Ga3^xiv	4.89 (6)
O1—O4	3.19 (8)	O4—Ga2^xxxvii	5.18 (7)
O1—O3^xii	3.79 (6)	O4—O6^xxxvi	5.23 (7)
O1—O2^xxvi	3.72 (7)	O4—O2^xiii	4.74 (7)
O1—O7^xxix	4.28 (8)	O4—Ga3^xxviii	4.44 (7)
O1—O5^viii	4.27 (7)	O4—O4^xix	5.0240 (2)
O1—O6^xiii	4.26 (5)	O4—O4^xviii	5.0240 (2)
O1—O2^xi	4.55 (7)	O4—O4^vii	6.31 (12)
O1—O3^ii	4.46 (6)	O4—O2^xi	5.30 (7)
O1—Ga4^xxx	4.65 (4)	O4—O2^vii	5.77 (7)
O1—Ga4^xiii	4.56 (4)	O4—O4^xvii	4.57 (6)
O1—Ga3^xxvi	4.51 (4)	O4—O4^xv	4.57 (6)
O1—O4^xxvi	5.27 (8)	O4—Ga2^xiii	5.30 (6)
O1—Ta^xxvi	4.78 (5)	O4—La1^xviii	5.09 (5)
O1—Ga1^xxvi	4.78 (5)	O4—La1^xiv	5.08 (5)
O1—Ta^xxiv	4.58 (5)	O4—Ga1^xxiv	5.09 (6)
O1—Ga1^xxiv	4.58 (5)	O4—Ta^xxiv	5.09 (6)
O1—O5^xxxi	4.73 (7)	O4—O1^xviii	4.96 (7)
O1—O6^xxxii	4.64 (5)	O4—Ga4^xvi	6.19 (6)
O1—La1^xiv	4.85 (3)	O4—O2^xviii	5.53 (7)
O1—La2^xxviii	4.83 (3)	O4—La2^xxvi	5.54 (7)
O1—O7^i	4.98 (8)	O4—O4^iii	5.82 (7)
O1—La1^xv	4.78 (3)	O4—O4^xiii	5.82 (7)
O1—O7^xxxiii	4.73 (7)	O4—O2^xix	6.32 (6)
O1—O6^xv	4.97 (5)	O4—La1^xii	6.69 (6)
O1—Ga2^xxvi	4.87 (5)	O4—O2^xxvi	5.75 (8)
O1—Ga2^xi	4.96 (5)	O4—O1^xli	6.49 (7)
O1—O5^xxix	4.85 (7)	O4—O1^iv	6.29 (8)
O1—O1^i	4.88 (11)	O4—O2^xxxvi	6.57 (7)
O1—O1^xiii	4.90 (5)	O4—O1^xix	6.80 (6)
O1—O1^iii	4.90 (5)	O4—O1^xiii	6.72 (8)
O1—O1^xix	5.0240	O4—O2^x	7.17 (7)
O1—O1^xviii	5.0240 (2)	O4—O1^xv	6.56 (8)
O1—Ga4^xxxi	5.29 (5)	O4—O2^xiv	6.98 (6)
O1—Ga3^xiv	5.30 (5)	O4—O2^xxx	7.62 (7)
O1—O4^xix	4.96 (7)	O4—O1^xxii	7.99 (7)
O1—O1^xxvii	5.70 (9)	O4—O1^vii	7.93 (8)
O1—O1^xvii	5.72 (5)	O4—O1^xxxvii	7.79 (8)
O1—O1^xv	5.72 (5)	O4—O1^xxxix	7.34 (7)
O1—O2^xxxiv	5.74 (5)	O4—O1^xii	7.88 (8)
O1—La1^xxxii	5.92 (5)	O4—O1^xlvi	7.97 (5)
O1—La1^xxvi	5.80 (5)	O5—Ga3^xlvii	1.82 (5)
O1—O2	6.07 (7)	O5—Ta^xlviii	2.03 (5)
O1—O2^xxx	6.31 (6)	O5—Ga1^xlviii	2.03 (5)
O1—O4^xxxiv	6.49 (7)	O5—La1^i	2.37 (5)
O1—O4^xi	6.29 (8)	O5—O2^xlix	2.91 (7)
O1—La2^xxxiv	6.31 (2)	O5—O2^xxvii	2.89 (6)
O1—La1^xxx	6.34 (2)	O5—O1^xxiv	3.03 (8)
O1—La1^xxxv	6.27 (2)	O5—O2^i	3.22 (6)
O1—O4^xviii	6.80 (6)	O5—O4^xxiv	3.40 (9)
O1—O4^iii	6.72 (8)	O5—O4^xxxviii	4.11 (7)
O1—O2^xxviii	6.72 (5)	O5—O1^v	4.27 (7)
O1—O4^xvii	6.56 (8)	O5—O4^v	4.86 (6)
O1—O2^x	6.93 (8)	O6—Ga4^xvii	1.83 (3)
O1—O2^xxxvi	7.11 (7)	O6—Ta^iv	1.96 (2)
O1—O2^xiv	7.22 (5)	O6—Ga1^iv	1.96 (2)
O1—O2^xxxii	7.40 (6)	O6—O4^iv	2.66 (6)
O1—O4^xxviii	7.99 (7)	O6—O1^iv	2.97 (6)
O1—O4^vii	7.93 (8)	O6—O1^iii	4.26 (5)
O2—Ga3^xviii	1.90 (4)	O6—O4^xvii	3.81 (6)
O2—O6	2.82 (5)	O6—O2^xxxvii	4.74 (5)
O2—O3^ii	2.67 (5)	O6—O4^iii	4.33 (6)
O2—O5^vi	2.91 (7)	O6—O2^vii	4.69 (5)
O2—O1^iii	2.70 (5)	O7—Ga4^xxvi	1.84 (5)
O2—O5^xxvii	2.89 (6)	O7—Ta^xlix	1.95 (6)
O2—O4	3.17 (8)	O7—Ga1^xlix	1.95 (6)
O2—O2^xxxvii	3.26 (8)	O7—La2^xlix	2.42 (6)
O2—O1^xvii	3.13 (5)	O7—O4^xlix	3.00 (9)
O2—O5^i	3.22 (6)	O7—O4^xxvii	2.99 (7)
O2—Ta^iv	3.43 (5)	O7—O1^xxiv	3.36 (8)
O2—Ga1^iv	3.43 (5)	O7—O4^i	3.97 (8)
O2—O1^ii	3.72 (7)	O7—O2^xlix	3.99 (8)
O2—O2^vii	3.78 (9)	O7—O1^l	4.28 (8)
O2—Ga2^xxxvii	3.89 (5)	O7—O2^xxvii	4.44 (8)
O2—Ga4^xvii	3.99 (5)	O7—O2^i	4.67 (8)
O2—O7^vi	3.99 (8)

Symmetry codes: (i) −x, y, −z+1; (ii) x, y+1/2, z−1/2; (iii) −x, y+1/2, −z+1/2; (iv) x, y+1, z; (v) −x, y+1, −z+1; (vi) x, y, z−1; (vii) −x, y, −z; (viii) −x, y−1, −z+1; (ix) x, y−1, z−1; (x) −x, y−1, −z; (xi) x, y−1, z; (xii) x, y−1/2, z−1/2; (xiii) −x, y−1/2, −z+1/2; (xiv) x+1, y−1, z; (xv) −x+1, y−1/2, −z+1/2; (xvi) x−1, y−1/2, z−1/2; (xvii) −x+1, y+1/2, −z+1/2; (xviii) x+1, y, z; (xix) x−1, y, z; (xx) x−1, y, z−1; (xxi) x−1, y+1, z; (xxii) x−1, y+1/2, z−1/2; (xxiii) −x−1, y, −z; (xxiv) x, y+1/2, z+1/2; (xxv) x+1, y+1/2, z+1/2; (xxvi) x, y−1/2, z+1/2; (xxvii) −x+1, y, −z+1; (xxviii) x+1, y−1/2, z+1/2; (xxix) −x, y−1/2, −z+3/2; (xxx) x−1, y−1, z; (xxxi) −x+1, y−1, −z+1; (xxxii) −x, y−3/2, −z+1/2; (xxxiii) −x+1, y−1/2, −z+3/2; (xxxiv) x−1, y−1/2, z+1/2; (xxxv) −x−1, y−1/2, −z+1/2; (xxxvi) −x+1, y−1, −z; (xxxvii) −x+1, y, −z; (xxxviii) −x+1, y+1, −z+1; (xxxix) x+1, y+1, z; (xl) x, y+1, z−1; (xli) x+1, y+1/2, z−1/2; (xlii) −x+1, y+1, −z; (xliii) −x, y+1, −z; (xliv) −x, y+3/2, −z+1/2; (xlv) −x+1, y+3/2, −z+1/2; (xlvi) −x−1, y+1/2, −z+1/2; (xlvii) x+1, y, z+1; (xlviii) x, y+1, z+1; (xlix) x, y, z+1; (l) −x, y+1/2, −z+3/2.

(11.7d3)

Crystal data

Ga5.50La3Nb0.50O14	V = 278.5 Å^3
Mr = 1070.65	Z = 1
?, ?	F(000) = 474
a = 7.991 Å	Dx = 6.383 Mg m^−3
b = 7.991 Å	Ag Kα radiation, λ = 0.56000 Å
c = 5.037 Å	µ = 14.49 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.000
Graphite monochromator	θmax = 23.0°, θmin = 3.2°
506 measured reflections	h = −9→9
506 independent reflections	k = −5→5
506 reflections with I > 2σ(I)	l = −7→6

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.038	(Δ/σ)max < 0.001
wR(F^2) = 0.116	Δρmax = 1.58 e Å^−3
S = 0.99	Δρmin = −1.87 e Å^−3
506 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
39 parameters	Extinction coefficient: 0.025 (6)
0 restraints	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.10 (9)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La	−0.43306 (11)	0.0000	0.0000	0.0133 (3)
Ga1	0.0000	0.0000	0.0000	0.0163 (6)	0.50
Ga2	−0.6667	−0.3333	0.4769 (4)	0.0127 (5)
Ga3	−0.7679 (2)	0.0000	−0.5000	0.0134 (4)
Nb	0.0000	0.0000	0.0000	0.0163 (6)	0.50
O1	−0.3333	0.3333	0.169 (3)	0.015 (2)
O3	−0.1493 (17)	0.0698 (19)	0.239 (2)	0.046 (4)
O2	−0.5470 (16)	0.1485 (18)	−0.310 (2)	0.052 (4)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La	0.0152 (4)	0.0095 (4)	0.0134 (5)	0.0047 (2)	−0.00087 (14)	−0.0017 (3)
Ga1	0.0169 (8)	0.0169 (8)	0.0150 (12)	0.0084 (4)	0.000	0.000
Ga2	0.0143 (6)	0.0143 (6)	0.0096 (9)	0.0071 (3)	0.000	0.000
Ga3	0.0124 (5)	0.0147 (7)	0.0137 (7)	0.0073 (4)	0.0037 (3)	0.0075 (6)
Nb	0.0169 (8)	0.0169 (8)	0.0150 (12)	0.0084 (4)	0.000	0.000
O1	0.012 (3)	0.012 (3)	0.022 (7)	0.0058 (16)	0.000	0.000
O3	0.044 (7)	0.074 (11)	0.047 (6)	0.051 (9)	−0.030 (6)	−0.042 (7)
O2	0.021 (5)	0.061 (8)	0.035 (6)	−0.008 (6)	−0.013 (4)	0.037 (6)

Bond lengths (Å)

La—O3^i	2.375 (10)	O3—O2^xxviii	2.943 (14)
La—O3	2.375 (10)	O3—O3^ix	3.18 (3)
La—O2^i	2.398 (12)	O3—O2^iv	3.341 (19)
La—O2	2.398 (12)	O3—O3^xxxviii	3.34 (2)
La—O1^ii	2.516 (5)	O3—Ga2^xxvi	3.425 (9)
La—O1	2.516 (5)	O3—Ga3^xxv	3.609 (10)
La—O2^iii	2.827 (17)	O3—La^v	3.731 (14)
La—O2^iv	2.827 (17)	O3—O2^i	3.821 (19)
La—Ga2	3.3733 (14)	O3—O3^viii	3.875 (19)
La—Ga2^v	3.3733 (14)	O3—Ga3^xxiv	3.929 (13)
La—Nb	3.4604 (9)	O3—O3^xlv	4.01 (2)
La—Ga1	3.4604 (9)	O3—Ga1^xxix	4.133 (12)
Ga1—O3^vi	1.964 (10)	O3—Nb^xxix	4.133 (12)
Ga1—O3	1.964 (10)	O3—O2^xxix	4.201 (19)
Ga1—O3^vii	1.964 (10)	O3—La^vi	4.246 (13)
Ga1—O3^viii	1.964 (10)	O3—O1^ii	4.287 (13)
Ga1—O3^ix	1.964 (10)	O3—Ga3^xi	4.305 (10)
Ga1—O3^i	1.964 (10)	O3—La^xxix	4.343 (12)
Ga1—La^viii	3.4604 (9)	O3—O2^xv	4.355 (18)
Ga1—La^vi	3.4604 (9)	O3—O2	4.488 (16)
Ga1—O2^x	3.557 (13)	O3—Ga2^xxxvi	4.545 (12)
Ga1—O2^xi	3.557 (13)	O3—La^xi	4.637 (12)
Ga1—O2^v	3.557 (13)	O3—O2^xi	4.633 (16)
Ga2—O1^xii	1.784 (16)	O3—Ga2^v	4.766 (12)
Ga2—O2^i	1.812 (10)	O3—O2^xlvi	4.759 (17)
Ga2—O2^ii	1.812 (10)	O3—O1^xii	4.799 (18)
Ga2—O2^iii	1.812 (10)	O3—Ga3^xxix	4.869 (11)
Ga2—O1^ii	3.254 (16)	O3—O1^v	4.844 (17)
Ga2—La^xi	3.3732 (14)	O3—La^viii	4.880 (10)
Ga2—La^ii	3.3732 (14)	O3—Ga3^x	5.018 (11)
Ga2—O3^xiii	3.425 (9)	O3—O3^xxii	5.0374
Ga2—O3^xiv	3.425 (9)	O3—O3^xxix	5.0374
Ga2—O3^xii	3.425 (9)	O3—O2^xxx	5.095 (14)
Ga2—La^xv	3.5425 (15)	O3—O2^xxv	5.069 (16)
Ga3—O3^ii	1.812 (10)	O3—La^xxvi	5.210 (10)
Ga3—O3^xvi	1.812 (10)	O3—O2^ii	5.314 (17)
Ga3—O2	1.830 (10)	O3—O2^xxvii	5.335 (18)
Ga3—O2^xvii	1.830 (10)	O3—O1^xxvi	5.302 (14)
Ga3—O3^xviii	2.527 (14)	O3—O2^x	5.309 (18)
Ga3—O3^xix	2.527 (14)	O3—O1^xlvii	5.317 (12)
Ga3—Nb^xx	3.1280 (10)	O3—O2^ix	5.32 (2)
Ga3—Nb^xxi	3.1280 (10)	O3—O3^iv	5.392 (17)
Ga3—O1^xxii	3.561 (7)	O3—O3^xxvii	5.392 (17)
Ga3—O1^ii	3.561 (7)	O3—Ga2^xxii	5.376 (10)
Ga3—O3^xxiii	3.609 (10)	O3—O2^xxxiii	5.445 (18)
Ga3—O3^xx	3.609 (10)	O3—O2^xlviii	5.432 (15)
Nb—O3^vi	1.964 (10)	O3—O2^xxiv	5.449 (18)
Nb—O3	1.964 (10)	O3—Ga2^xlv	5.494 (13)
Nb—O3^vii	1.964 (10)	O3—La^xxvii	5.541 (10)
Nb—O3^viii	1.964 (10)	O3—La^xlix	5.590 (10)
Nb—O3^ix	1.964 (10)	O3—O1^xxix	5.623 (15)
Nb—O3^i	1.964 (10)	O3—O3^l	5.708 (7)
Nb—Ga3^xi	3.1280 (10)	O3—O3^li	5.708 (7)
Nb—Ga3^xv	3.1280 (10)	O3—O3^xlix	5.708 (7)
Nb—Ga3^v	3.1280 (10)	O3—O3^lii	5.708 (7)
Nb—Ga3^xxiv	3.1280 (10)	O3—O1^x	5.775 (11)
Nb—Ga3^xxv	3.1280 (10)	O3—La^xv	5.892 (15)
Nb—Ga3^x	3.1280 (10)	O3—O2^xiv	6.05 (2)
O1—Ga2^xxvi	1.784 (16)	O3—La^ii	6.041 (11)
O1—La^v	2.516 (5)	O3—O3^ii	6.074 (16)
O1—La^xxvii	2.516 (5)	O3—O3^v	6.074 (16)
O1—O2^iv	2.896 (17)	O3—O2^xvii	6.034 (18)
O1—O2	2.896 (18)	O3—O2^xxvi	6.068 (15)
O1—O2^xxvii	2.896 (17)	O3—La^xlv	6.086 (12)
O1—O2^xxviii	3.077 (17)	O3—O3^xii	6.161 (15)
O1—O2^xxix	3.077 (17)	O3—O3^xxvi	6.161 (15)
O1—O2^xxx	3.077 (17)	O3—La^x	6.141 (10)
O1—O3	3.133 (10)	O2—Ga2^v	1.812 (10)
O1—O3^iv	3.133 (10)	O2—O3^xix	2.78 (2)
O1—O3^xxvii	3.133 (10)	O2—O2^iv	2.779 (17)
O1—Ga2^v	3.254 (16)	O2—O2^xxvii	2.779 (17)
O1—Ga3^xxix	3.561 (7)	O2—La^xxvii	2.827 (17)
O1—Ga3^v	3.561 (7)	O2—O3^ii	2.807 (16)
O1—Ga3^xxx	3.561 (7)	O2—O2^xvii	2.81 (3)
O1—O2^i	3.544 (14)	O2—O3^xvi	2.943 (14)
O1—O2^xix	3.544 (14)	O2—O1^xxii	3.077 (17)
O1—O2^v	3.544 (14)	O2—O3^xxvii	3.341 (19)
O1—O3^i	4.287 (13)	O2—Nb^xxi	3.557 (13)
O1—O3^v	4.287 (13)	O2—Ga1^xxi	3.557 (13)
O1—O3^xix	4.287 (13)	O2—O1^ii	3.544 (14)
O1—Ga3^xxiv	4.611 (11)	O2—Ga2^xxii	3.635 (16)
O1—Ga3^xxvii	4.611 (11)	O2—O2^i	3.74 (2)
O1—Ga1^xxi	4.691 (3)	O2—O3^i	3.821 (19)
O1—Nb^xxi	4.691 (3)	O2—La^xxii	3.925 (15)
O1—Ga1^xxxi	4.691 (3)	O2—Ga3^liii	4.110 (14)
O1—Nb^xxxi	4.691 (3)	O2—La^xvi	4.201 (10)
O1—O2^xxxii	4.746 (17)	O2—Ga3^xxiv	4.189 (14)
O1—O2^iii	4.746 (17)	O2—O3^xxii	4.200 (19)
O1—O2^xxxiii	4.746 (17)	O2—La^v	4.255 (10)
O1—O3^xiii	4.799 (18)	O2—Ga3^xxix	4.367 (12)
O1—O3^xxvi	4.799 (18)	O2—Ga3^xxvii	4.392 (12)
O1—O3^xxxiv	4.799 (18)	O2—O3^xviii	4.355 (18)
O1—La^xxix	4.809 (13)	O2—Ga2^xxvi	4.491 (12)
O1—La^xxvi	4.809 (13)	O2—O2^xlviii	4.479 (11)
O1—La^xxx	4.809 (13)	O2—O2^xli	4.479 (11)
O1—O3^ix	4.844 (17)	O2—La^ii	4.507 (10)
O1—O3^ii	4.844 (17)	O2—O2^liii	4.63 (3)
O1—O3^xxxv	4.844 (17)	O2—O3^xl	4.633 (16)
O1—Ga2^xxxvi	4.867 (5)	O2—O1^xxxii	4.746 (17)
O1—Ga2^xxxi	4.867 (5)	O2—Nb^xx	4.723 (10)
O1—O1^v	4.917 (11)	O2—Ga1^xx	4.723 (10)
O1—O1^ii	4.917 (11)	O2—O3^xxiii	4.759 (17)
O1—O1^xxxii	4.917 (11)	O2—Ga2^liv	4.814 (15)
O1—O1^xxix	5.0374	O2—Ga3^lv	4.847 (11)
O1—O1^xxii	5.0374	O2—Ga3^xi	4.914 (17)
O1—Ga3^xxxii	5.244 (5)	O2—O2^xxii	5.0374
O1—Ga3^xv	5.244 (5)	O2—O2^xxix	5.0374
O1—Ga3^xxxvii	5.244 (5)	O2—O3^xlii	5.095 (14)
O1—O3^xxxviii	5.302 (14)	O2—O2^iii	5.111 (14)
O1—O3^xii	5.302 (14)	O2—O2^xix	5.111 (14)
O1—O3^xxxix	5.302 (14)	O2—O3^xx	5.069 (16)
O1—O3^vi	5.317 (12)	O2—O2^xxxii	5.24 (3)
O1—O3^xl	5.317 (12)	O2—O2^lvi	5.19 (2)
O1—O3^xxxi	5.317 (12)	O2—O2^xxiv	5.19 (2)
O1—O2^xvii	5.55 (2)	O2—La^xxiv	5.269 (11)
O1—O2^xli	5.55 (2)	O2—O3^v	5.314 (17)
O1—O2^xxiv	5.55 (2)	O2—O3^iv	5.335 (18)
O1—O3^xxii	5.623 (15)	O2—O3^xxi	5.310 (18)
O1—O3^xvi	5.623 (15)	O2—O3^ix	5.32 (2)
O1—O3^xlii	5.623 (15)	O2—O3^xxxv	5.445 (18)
O1—O1^xxvi	5.693 (18)	O2—O3^xli	5.432 (15)
O1—O1^xii	5.693 (18)	O2—O3^lvi	5.449 (18)
O1—O1^xliii	5.693 (18)	O2—La^lvi	5.474 (13)
O1—O3^vii	5.775 (11)	O2—O2^lv	5.54 (2)
O1—O3^xliv	5.775 (11)	O2—O2^lvii	5.54 (2)
O1—O3^xxi	5.775 (11)	O2—O1^lvi	5.55 (2)
O1—La^vi	5.829 (2)	O2—Ga3^xxxii	5.710 (16)
O1—La^ii	5.829 (2)	O2—O2^xlii	5.753 (8)
O1—La^xxxi	5.829 (2)	O2—O2^xvi	5.753 (8)
O1—O2^xxxv	6.164 (10)	O2—O2^xxviii	5.753 (8)
O1—O2^ix	6.164 (10)	O2—O2^xxx	5.753 (8)
O1—O2^ii	6.164 (10)	O2—O2^ii	5.746 (16)
O1—O3^xxix	6.226 (17)	O2—O2^v	5.746 (16)
O3—Ga3^v	1.812 (10)	O2—Ga3^v	5.768 (11)
O3—Ga3^xv	2.527 (14)	O2—La^xi	5.850 (14)
O3—O3^i	2.60 (2)	O2—O3^xxxiv	6.05 (2)
O3—O3^vi	2.684 (16)	O2—O3^xvii	6.034 (18)
O3—O3^vii	2.684 (16)	O2—O3^xii	6.068 (15)
O3—O2^iii	2.78 (2)	O2—O2^xi	6.01 (3)
O3—O3^xiii	2.80 (3)	O2—O2^xl	6.01 (3)
O3—O2^v	2.807 (16)

Symmetry codes: (i) x−y, −y, −z; (ii) y−1, x, −z; (iii) −x−1, −x+y−1, −z; (iv) −y, x−y+1, z; (v) y, x+1, −z; (vi) −x+y, −x, z; (vii) −y, x−y, z; (viii) y, x, −z; (ix) −x, −x+y, −z; (x) x+1, y, z; (xi) −x+y−1, −x−1, z; (xii) y−1, x, −z+1; (xiii) x−y, −y, −z+1; (xiv) −x−1, −x+y−1, −z+1; (xv) −x+y−1, −x−1, z+1; (xvi) −x+y−1, −x, z−1; (xvii) x−y, −y, −z−1; (xviii) −y−1, x−y, z−1; (xix) −x−1, −x+y, −z; (xx) x−1, y, z−1; (xxi) x−1, y, z; (xxii) x, y, z−1; (xxiii) x−y−1, −y, −z; (xxiv) y, x+1, −z−1; (xxv) x+1, y, z+1; (xxvi) y, x+1, −z+1; (xxvii) −x+y−1, −x, z; (xxviii) −y, x−y+1, z+1; (xxix) x, y, z+1; (xxx) −x+y−1, −x, z+1; (xxxi) x, y+1, z; (xxxii) y−1, x+1, −z; (xxxiii) x−y+1, −y+1, −z; (xxxiv) −x−1, −x+y, −z+1; (xxxv) x−y, −y+1, −z; (xxxvi) x+1, y+1, z; (xxxvii) x+1, y+1, z+1; (xxxviii) −x, −x+y, −z+1; (xxxix) x−y, −y+1, −z+1; (xl) −y−1, x−y, z; (xli) −x−1, −x+y, −z−1; (xlii) −y, x−y+1, z−1; (xliii) y−1, x+1, −z+1; (xliv) −x+y, −x+1, z; (xlv) y, x, −z+1; (xlvi) x−y+1, −y, −z; (xlvii) x, y−1, z; (xlviii) −x−1, −x+y−1, −z−1; (xlix) −x+y, −x, z+1; (l) −x+y, −x, z−1; (li) −y, x−y, z−1; (lii) −y, x−y, z+1; (liii) y−1, x+1, −z−1; (liv) x, y+1, z−1; (lv) −x+y−2, −x−1, z; (lvi) y−1, x, −z−1; (lvii) −y−1, x−y+1, z.

(12.8d3)

Crystal data

Ga5.54La3O14Ta0.46	V = 276.3 Å^3
Mr = 1110.22	Z = 1
?, ?	F(000) = 488
a = 7.972 Å	Dx = 6.671 Mg m^−3
b = 7.972 Å	Ag Kα radiation, λ = 0.56000 Å
c = 5.021 Å	µ = 15.42 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.000
Graphite monochromator	θmax = 23.0°, θmin = 3.2°
483 measured reflections	h = −10→10
483 independent reflections	k = −11→11
483 reflections with I > 2σ(I)	l = −6→6

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.046	(Δ/σ)max < 0.001
wR(F^2) = 0.132	Δρmax = 2.06 e Å^−3
S = 1.10	Δρmin = −2.00 e Å^−3
483 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
39 parameters	Extinction coefficient: 0.040 (9)
0 restraints	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.13 (11)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La	−0.43528 (17)	0.0000	0.0000	0.0191 (4)
Ga1	0.0000	0.0000	0.0000	0.0230 (6)	0.50
Ta	0.0000	0.0000	0.0000	0.0230 (6)	0.50
Ga2	−0.6667	−0.3333	0.4800 (5)	0.0169 (6)
Ga3	0.0000	0.2340 (3)	0.5000	0.0179 (5)
O1	−0.3333	0.3333	0.166 (3)	0.018 (3)
O2	−0.452 (2)	−0.293 (4)	0.305 (3)	0.074 (8)
O3	−0.149 (2)	0.076 (3)	0.238 (2)	0.047 (4)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La	0.0259 (6)	0.0128 (5)	0.0142 (6)	0.0064 (3)	−0.0013 (2)	−0.0027 (4)
Ga1	0.0300 (8)	0.0300 (8)	0.0089 (8)	0.0150 (4)	0.000	0.000
Ta	0.0300 (8)	0.0300 (8)	0.0089 (8)	0.0150 (4)	0.000	0.000
Ga2	0.0176 (7)	0.0176 (7)	0.0153 (12)	0.0088 (4)	0.000	0.000
Ga3	0.0237 (11)	0.0178 (7)	0.0141 (9)	0.0119 (6)	−0.0077 (8)	−0.0039 (4)
O1	0.022 (5)	0.022 (5)	0.011 (6)	0.011 (2)	0.000	0.000
O2	0.032 (7)	0.16 (2)	0.046 (8)	0.056 (11)	−0.031 (6)	−0.071 (11)
O3	0.037 (8)	0.079 (14)	0.040 (7)	0.041 (10)	−0.029 (6)	−0.038 (9)

Geometric parameters (Å, º)

La—O3^i	2.371 (12)	Ta—Ga3^x	3.1278 (14)
La—O3	2.371 (12)	Ta—Ga3^vi	3.1278 (14)
La—O2^ii	2.429 (19)	Ta—Ga3^xi	3.1279 (14)
La—O2^iii	2.429 (19)	Ta—Ga3^vii	3.1279 (14)
La—O1	2.501 (5)	Ta—Ga3	3.1279 (14)
La—O1^iv	2.501 (5)	Ta—Ga3^xii	3.1279 (14)
La—O2	2.74 (2)	Ga2—O1^xiii	1.780 (15)
La—O2^i	2.74 (2)	Ga2—O2^xiv	1.806 (14)
La—Ga2	3.3720 (17)	Ga2—O2	1.806 (14)
La—Ga2^v	3.3720 (17)	Ga2—O2^ii	1.806 (14)
La—Ga1	3.4701 (13)	Ga2—La^xiv	3.3719 (17)
La—Ta	3.4701 (13)	Ga2—La^iv	3.3720 (17)
Ga1—O3^vi	1.981 (13)	Ga2—La^xv	3.5185 (17)
Ga1—O3^vii	1.981 (13)	Ga2—La^xvi	3.5185 (17)
Ga1—O3^viii	1.981 (13)	Ga2—La^xiii	3.5185 (17)
Ga1—O3	1.981 (13)	Ga3—O3^xvii	1.799 (12)
Ga1—O3^ix	1.981 (13)	Ga3—O3	1.799 (12)
Ga1—O3^i	1.981 (13)	Ga3—O2^viii	1.838 (13)
Ga1—La^vi	3.4700 (13)	Ga3—O2^xviii	1.838 (13)
Ga1—La^viii	3.4700 (13)	Ga3—Ta^xvi	3.1279 (14)
Ta—O3^vi	1.981 (13)	O1—Ga2^xix	1.780 (15)
Ta—O3^vii	1.981 (13)	O1—La^v	2.501 (5)
Ta—O3^viii	1.981 (13)	O1—La^xx	2.501 (5)
Ta—O3	1.981 (13)	O2—Ga3^vii	1.838 (13)
Ta—O3^ix	1.981 (13)	O2—La^xiv	2.429 (19)
Ta—O3^i	1.981 (13)
O3^i—La—O3	66.8 (6)	O3^vi—Ta—Ga3^vi	32.3 (4)
O3^i—La—O2^ii	138.2 (6)	O3^vii—Ta—Ga3^vi	113.3 (3)
O3—La—O2^ii	108.0 (6)	O3^viii—Ta—Ga3^vi	97.1 (4)
O3^i—La—O2^iii	108.0 (6)	O3—Ta—Ga3^vi	159.0 (5)
O3—La—O2^iii	138.2 (6)	O3^ix—Ta—Ga3^vi	55.1 (5)
O2^ii—La—O2^iii	101.6 (9)	O3^i—Ta—Ga3^vi	87.9 (3)
O3^i—La—O1	122.9 (4)	Ga3^x—Ta—Ga3^vi	106.76 (7)
O3—La—O1	78.6 (4)	O3^vi—Ta—Ga3^xi	55.1 (5)
O2^ii—La—O1	94.4 (4)	O3^vii—Ta—Ga3^xi	97.1 (4)
O2^iii—La—O1	70.3 (5)	O3^viii—Ta—Ga3^xi	159.0 (5)
O3^i—La—O1^iv	78.6 (4)	O3—Ta—Ga3^xi	113.3 (3)
O3—La—O1^iv	122.9 (4)	O3^ix—Ta—Ga3^xi	87.9 (3)
O2^ii—La—O1^iv	70.3 (5)	O3^i—Ta—Ga3^xi	32.3 (4)
O2^iii—La—O1^iv	94.4 (4)	Ga3^x—Ta—Ga3^xi	145.30 (3)
O1—La—O1^iv	156.18 (8)	Ga3^vi—Ta—Ga3^xi	62.21 (6)
O3^i—La—O2	78.7 (5)	O3^vi—Ta—Ga3^vii	113.3 (3)
O3—La—O2	64.2 (6)	O3^vii—Ta—Ga3^vii	32.3 (4)
O2^ii—La—O2	63.5 (6)	O3^viii—Ta—Ga3^vii	87.9 (3)
O2^iii—La—O2	157.6 (3)	O3—Ta—Ga3^vii	55.0 (5)
O1—La—O2	124.9 (4)	O3^ix—Ta—Ga3^vii	159.0 (5)
O1^iv—La—O2	65.5 (4)	O3^i—Ta—Ga3^vii	97.1 (4)
O3^i—La—O2^i	64.2 (6)	Ga3^x—Ta—Ga3^vii	62.21 (6)
O3—La—O2^i	78.7 (5)	Ga3^vi—Ta—Ga3^vii	145.30 (3)
O2^ii—La—O2^i	157.6 (3)	Ga3^xi—Ta—Ga3^vii	106.76 (7)
O2^iii—La—O2^i	63.5 (6)	O3^vi—Ta—Ga3	159.0 (5)
O1—La—O2^i	65.5 (4)	O3^vii—Ta—Ga3	87.9 (3)
O1^iv—La—O2^i	124.9 (4)	O3^viii—Ta—Ga3	55.0 (5)
O2—La—O2^i	135.5 (6)	O3—Ta—Ga3	32.3 (4)
O3^i—La—Ga2	109.8 (4)	O3^ix—Ta—Ga3	97.1 (4)
O3—La—Ga2	85.3 (4)	O3^i—Ta—Ga3	113.3 (3)
O2^ii—La—Ga2	31.2 (4)	Ga3^x—Ta—Ga3	62.20 (6)
O2^iii—La—Ga2	131.4 (4)	Ga3^vi—Ta—Ga3	145.30 (3)
O1—La—Ga2	111.0 (3)	Ga3^xi—Ta—Ga3	145.30 (3)
O1^iv—La—Ga2	65.0 (3)	Ga3^vii—Ta—Ga3	62.20 (6)
O2—La—Ga2	32.3 (3)	O3^vi—Ta—Ga3^xii	87.9 (3)
O2^i—La—Ga2	163.9 (3)	O3^vii—Ta—Ga3^xii	159.0 (5)
O3^i—La—Ga2^v	85.3 (4)	O3^viii—Ta—Ga3^xii	113.3 (3)
O3—La—Ga2^v	109.8 (4)	O3—Ta—Ga3^xii	97.1 (4)
O2^ii—La—Ga2^v	131.4 (4)	O3^ix—Ta—Ga3^xii	32.3 (4)
O2^iii—La—Ga2^v	31.2 (4)	O3^i—Ta—Ga3^xii	55.0 (5)
O1—La—Ga2^v	65.0 (3)	Ga3^x—Ta—Ga3^xii	145.30 (3)
O1^iv—La—Ga2^v	111.0 (3)	Ga3^vi—Ta—Ga3^xii	62.20 (6)
O2—La—Ga2^v	163.9 (3)	Ga3^xi—Ta—Ga3^xii	62.20 (6)
O2^i—La—Ga2^v	32.3 (3)	Ga3^vii—Ta—Ga3^xii	145.29 (3)
Ga2—La—Ga2^v	162.40 (4)	Ga3—Ta—Ga3^xii	106.76 (7)
O3^i—La—Ga1	33.4 (3)	O1^xiii—Ga2—O2^xiv	119.2 (4)
O3—La—Ga1	33.4 (3)	O1^xiii—Ga2—O2	119.2 (4)
O2^ii—La—Ga1	129.2 (4)	O2^xiv—Ga2—O2	98.3 (5)
O2^iii—La—Ga1	129.2 (4)	O1^xiii—Ga2—O2^ii	119.2 (4)
O1—La—Ga1	101.91 (4)	O2^xiv—Ga2—O2^ii	98.3 (5)
O1^iv—La—Ga1	101.91 (4)	O2—Ga2—O2^ii	98.3 (5)
O2—La—Ga1	67.8 (3)	O1^xiii—Ga2—La^xiv	135.62 (3)
O2^i—La—Ga1	67.8 (3)	O2^xiv—Ga2—La^xiv	54.2 (8)
Ga2—La—Ga1	98.80 (2)	O2—Ga2—La^xiv	44.2 (6)
Ga2^v—La—Ga1	98.80 (2)	O2^ii—Ga2—La^xiv	104.9 (4)
O3^i—La—Ta	33.4 (3)	O1^xiii—Ga2—La	135.62 (3)
O3—La—Ta	33.4 (3)	O2^xiv—Ga2—La	104.9 (4)
O2^ii—La—Ta	129.2 (4)	O2—Ga2—La	54.2 (8)
O2^iii—La—Ta	129.2 (4)	O2^ii—Ga2—La	44.2 (6)
O1—La—Ta	101.91 (4)	La^xiv—Ga2—La	74.56 (4)
O1^iv—La—Ta	101.91 (4)	O1^xiii—Ga2—La^iv	135.62 (3)
O2—La—Ta	67.8 (3)	O2^xiv—Ga2—La^iv	44.2 (6)
O2^i—La—Ta	67.8 (3)	O2—Ga2—La^iv	104.9 (4)
Ga2—La—Ta	98.80 (2)	O2^ii—Ga2—La^iv	54.1 (8)
Ga2^v—La—Ta	98.80 (2)	La^xiv—Ga2—La^iv	74.56 (4)
Ga1—La—Ta	0.0	La—Ga2—La^iv	74.56 (4)
O3^vi—Ga1—O3^vii	82.4 (6)	O1^xiii—Ga2—La^xv	42.09 (3)
O3^vi—Ga1—O3^viii	105.6 (11)	O2^xiv—Ga2—La^xv	97.7 (5)
O3^vii—Ga1—O3^viii	87.3 (5)	O2—Ga2—La^xv	90.5 (6)
O3^vi—Ga1—O3	163.0 (10)	O2^ii—Ga2—La^xv	160.5 (5)
O3^vii—Ga1—O3	87.3 (5)	La^xiv—Ga2—La^xv	93.530 (7)
O3^viii—Ga1—O3	87.3 (5)	La—Ga2—La^xv	139.889 (4)
O3^vi—Ga1—O3^ix	87.3 (5)	La^iv—Ga2—La^xv	139.888 (4)
O3^vii—Ga1—O3^ix	163.0 (10)	O1^xiii—Ga2—La^xvi	42.09 (3)
O3^viii—Ga1—O3^ix	82.4 (6)	O2^xiv—Ga2—La^xvi	160.5 (5)
O3—Ga1—O3^ix	105.6 (11)	O2—Ga2—La^xvi	97.7 (5)
O3^vi—Ga1—O3^i	87.3 (5)	O2^ii—Ga2—La^xvi	90.5 (6)
O3^vii—Ga1—O3^i	105.6 (11)	La^xiv—Ga2—La^xvi	139.889 (4)
O3^viii—Ga1—O3^i	163.0 (10)	La—Ga2—La^xvi	93.529 (7)
O3—Ga1—O3^i	82.4 (6)	La^iv—Ga2—La^xvi	139.887 (4)
O3^ix—Ga1—O3^i	87.3 (5)	La^xv—Ga2—La^xvi	70.97 (4)
O3^vi—Ga1—La^vi	41.2 (3)	O1^xiii—Ga2—La^xiii	42.09 (3)
O3^vii—Ga1—La^vi	41.2 (3)	O2^xiv—Ga2—La^xiii	90.5 (6)
O3^viii—Ga1—La^vi	98.5 (5)	O2—Ga2—La^xiii	160.5 (5)
O3—Ga1—La^vi	127.2 (5)	O2^ii—Ga2—La^xiii	97.7 (5)
O3^ix—Ga1—La^vi	127.2 (5)	La^xiv—Ga2—La^xiii	139.888 (4)
O3^i—Ga1—La^vi	98.5 (5)	La—Ga2—La^xiii	139.887 (4)
O3^vi—Ga1—La^viii	98.5 (5)	La^iv—Ga2—La^xiii	93.528 (7)
O3^vii—Ga1—La^viii	127.2 (5)	La^xv—Ga2—La^xiii	70.97 (4)
O3^viii—Ga1—La^viii	41.2 (3)	La^xvi—Ga2—La^xiii	70.97 (4)
O3—Ga1—La^viii	98.5 (5)	O3^xvii—Ga3—O3	136.4 (10)
O3^ix—Ga1—La^viii	41.2 (3)	O3^xvii—Ga3—O2^viii	105.7 (7)
O3^i—Ga1—La^viii	127.2 (5)	O3—Ga3—O2^viii	100.1 (6)
La^vi—Ga1—La^viii	120.0	O3^xvii—Ga3—O2^xviii	100.1 (6)
O3^vi—Ga1—La	127.2 (5)	O3—Ga3—O2^xviii	105.7 (7)
O3^vii—Ga1—La	98.5 (5)	O2^viii—Ga3—O2^xviii	106.4 (16)
O3^viii—Ga1—La	127.2 (5)	O3^xvii—Ga3—Ta^xvi	36.1 (4)
O3—Ga1—La	41.2 (3)	O3—Ga3—Ta^xvi	111.4 (6)
O3^ix—Ga1—La	98.5 (5)	O2^viii—Ga3—Ta^xvi	141.8 (5)
O3^i—Ga1—La	41.2 (3)	O2^xviii—Ga3—Ta^xvi	85.9 (6)
La^vi—Ga1—La	120.0	O3^xvii—Ga3—Ta	111.4 (6)
La^viii—Ga1—La	120.0	O3—Ga3—Ta	36.1 (4)
O3^vi—Ta—O3^vii	82.4 (6)	O2^viii—Ga3—Ta	85.9 (6)
O3^vi—Ta—O3^viii	105.6 (11)	O2^xviii—Ga3—Ta	141.8 (5)
O3^vii—Ta—O3^viii	87.3 (5)	Ta^xvi—Ga3—Ta	106.76 (7)
O3^vi—Ta—O3	163.0 (10)	Ga2^xix—O1—La	109.4 (3)
O3^vii—Ta—O3	87.3 (5)	Ga2^xix—O1—La^v	109.4 (3)
O3^viii—Ta—O3	87.3 (5)	La—O1—La^v	109.5 (3)
O3^vi—Ta—O3^ix	87.3 (5)	Ga2^xix—O1—La^xx	109.4 (3)
O3^vii—Ta—O3^ix	163.0 (10)	La—O1—La^xx	109.5 (3)
O3^viii—Ta—O3^ix	82.4 (6)	La^v—O1—La^xx	109.5 (3)
O3—Ta—O3^ix	105.6 (11)	Ga3^vii—O2—Ga2	118.4 (7)
O3^vi—Ta—O3^i	87.3 (5)	Ga3^vii—O2—La^xiv	116.4 (9)
O3^vii—Ta—O3^i	105.6 (11)	Ga2—O2—La^xiv	104.6 (9)
O3^viii—Ta—O3^i	163.0 (10)	Ga3^vii—O2—La	116.4 (11)
O3—Ta—O3^i	82.4 (6)	Ga2—O2—La	93.5 (8)
O3^ix—Ta—O3^i	87.3 (5)	La^xiv—O2—La	104.3 (5)
O3^vi—Ta—Ga3^x	97.1 (4)	Ga3—O3—Ta	111.6 (7)
O3^vii—Ta—Ga3^x	55.1 (5)	Ga3—O3—Ga1	111.6 (7)
O3^viii—Ta—Ga3^x	32.3 (4)	Ta—O3—Ga1	0.0
O3—Ta—Ga3^x	87.9 (3)	Ga3—O3—La	139.6 (7)
O3^ix—Ta—Ga3^x	113.3 (3)	Ta—O3—La	105.4 (4)
O3^i—Ta—Ga3^x	159.0 (5)	Ga1—O3—La	105.4 (4)

Symmetry codes: (i) x−y, −y, −z; (ii) −y−1, x−y, z; (iii) −x−1, −x+y, −z; (iv) y−1, x, −z; (v) y, x+1, −z; (vi) y, x, −z; (vii) −y, x−y, z; (viii) −x+y, −x, z; (ix) −x, −x+y, −z; (x) y, x, −z+1; (xi) −y, x−y, z−1; (xii) x, y, z−1; (xiii) y−1, x, −z+1; (xiv) −x+y−1, −x−1, z; (xv) −x+y−1, −x−1, z+1; (xvi) x, y, z+1; (xvii) −x, −x+y, −z+1; (xviii) x−y, −y, −z+1; (xix) y, x+1, −z+1; (xx) −x+y−1, −x, z.

(12.8d3a2)

Crystal data

Ga11La6O28Ta	V = 552.7 Å^3
Mr = 2229.33	Z = 1
?, ?	F(000) = 980
a = 5.021 Å	Dx = 6.698 Mg m^−3
b = 7.972 Å	Ag Kα radiation, λ = 0.56000 Å
c = 13.808 Å	µ = 15.58 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 90°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.058
Graphite monochromator	θmax = 23.0°, θmin = 3.2°
1086 measured reflections	h = −6→6
757 independent reflections	k = −6→7
755 reflections with I > 2σ(I)	l = −19→19

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.048	(Δ/σ)max = 1.264
wR(F^2) = 0.127	Δρmax = 1.50 e Å^−3
S = 1.09	Δρmin = −2.20 e Å^−3
757 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
75 parameters	Extinction coefficient: 0.0084 (13)
1 restraint	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: −0.03 (9)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La1	−0.0003 (7)	0.7811 (3)	0.2178 (3)	0.0211 (8)
La2	0.0000	0.4332 (6)	0.0000	0.0193 (11)
Ga1	0.0000	−0.0027 (8)	0.0000	0.0258 (9)	0.50
Ta	0.0000	−0.0027 (8)	0.0000	0.0258 (9)	0.50
Ga2	0.4800 (4)	0.4971 (14)	0.1659 (7)	0.0181 (6)
Ga3	−0.5000	0.7632 (11)	0.0000	0.017 (2)
Ga4	0.4952 (13)	0.6160 (11)	0.3834 (6)	0.0205 (13)
O1	0.167 (3)	0.008 (7)	0.326 (3)	0.016 (4)*
O2	0.282 (4)	0.648 (3)	0.0932 (19)	0.010 (5)*
O3	0.304 (5)	0.073 (5)	0.779 (3)	0.019 (6)*
O4	0.360 (6)	0.288 (5)	0.192 (3)	0.031 (6)*
O5	0.266 (6)	0.885 (5)	0.921 (3)	0.027 (8)*
O6	0.198 (5)	0.989 (4)	0.118 (2)	0.019 (6)*
O7	0.249 (6)	0.191 (4)	0.964 (2)	0.013 (6)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La1	0.0147 (11)	0.0033 (15)	0.045 (3)	−0.0006 (10)	−0.0007 (15)	−0.0038 (13)
La2	0.0139 (18)	0.021 (3)	0.023 (3)	0.000	0.0055 (18)	0.000
Ga1	0.0099 (7)	0.009 (3)	0.058 (5)	0.000	0.004 (2)	0.000
Ta	0.0099 (7)	0.009 (3)	0.058 (5)	0.000	0.004 (2)	0.000
Ga2	0.0172 (10)	0.013 (3)	0.024 (3)	−0.003 (3)	0.010 (3)	−0.001 (3)
Ga3	0.012 (3)	0.000 (4)	0.039 (7)	0.000	−0.005 (4)	0.000
Ga4	0.0139 (18)	0.014 (4)	0.033 (4)	0.004 (2)	0.010 (3)	−0.003 (3)

Bond lengths (Å)

La1—O6	2.37 (3)	O2—La1^xviii	4.13 (2)
La1—O5^i	2.47 (4)	O2—La1^xiii	4.17 (3)
La1—O4^ii	2.19 (3)	O2—Ga4^xv	4.40 (3)
La1—O3^iii	2.40 (3)	O2—O7^xxix	4.41 (4)
La1—O1^iv	2.50 (6)	O2—O3^xxvii	4.36 (3)
La1—O1^ii	2.41 (5)	O2—O6^xix	4.77 (4)
La1—O3^v	2.78 (4)	O2—Ga2^xx	4.32 (2)
La1—O2	2.47 (2)	O2—O4^xvii	3.64 (5)
La1—Ga2^ii	3.368 (8)	O2—O7^i	4.59 (5)
La1—Ga2	3.385 (9)	O2—La1^vii	4.65 (3)
La1—Ga1^iv	3.466 (5)	O2—O6^vii	4.66 (4)
La1—Ta^iv	3.466 (5)	O2—O1^iv	4.36 (6)
La2—O7^i	2.36 (3)	O2—O4^xix	5.20 (5)
La2—O7^vi	2.36 (3)	O2—Ga2^xvii	4.50 (3)
La2—O2^vii	2.57 (3)	O2—Ga1^xli	4.73 (2)
La2—O2	2.57 (3)	O2—Ta^xli	4.73 (2)
La2—O1^ii	2.61 (4)	O2—O7^xlii	4.68 (5)
La2—O1^iii	2.61 (4)	O2—Ga4^iii	4.84 (3)
La2—O4	3.41 (4)	O2—O3^v	4.83 (4)
La2—O4^vii	3.41 (4)	O2—O7^xxvii	4.99 (4)
La2—Ga2	3.364 (7)	O2—O2^xx	5.0210 (1)
La2—Ga2^vii	3.364 (7)	O2—O2^xviii	5.0210 (1)
La2—Ga1	3.475 (8)	O2—O4^ii	4.52 (4)
La2—Ta	3.475 (8)	O2—O6^xv	4.93 (4)
Ga1—O6^viii	1.91 (3)	O2—Ga4^xii	5.25 (3)
Ga1—O6^ix	1.91 (3)	O2—La1^xv	5.32 (3)
Ga1—O5^x	1.95 (4)	O2—Ga2^vii	5.38 (3)
Ga1—O5^xi	1.95 (4)	O2—O3^xvii	5.57 (5)
Ga1—O7^vi	2.04 (3)	O2—O3^xlii	5.51 (4)
Ga1—O7^i	2.04 (3)	O2—O3^xxix	5.33 (5)
Ga1—O2^viii	3.38 (3)	O2—La1^xix	5.71 (2)
Ga1—O2^ix	3.38 (3)	O2—Ga4^ii	5.41 (2)
Ga1—La1^viii	3.466 (5)	O2—O1^xl	5.87 (4)
Ga1—La1^ix	3.466 (5)	O2—O3^xxiii	5.57 (4)
Ga1—O3^i	3.47 (3)	O2—O3^xl	5.76 (4)
Ta—O6^viii	1.91 (3)	O2—O3^ii	5.95 (4)
Ta—O6^ix	1.91 (3)	O2—O3^i	5.72 (4)
Ta—O5^x	1.95 (4)	O2—La1^xii	6.12 (3)
Ta—O5^xi	1.95 (4)	O2—La1^ii	5.86 (3)
Ta—O7^vi	2.04 (3)	O2—O3^vi	6.31 (4)
Ta—O7^i	2.04 (3)	O2—O1^xli	6.19 (5)
Ta—Ga4^xii	3.110 (7)	O2—O2^xvii	6.28 (4)
Ta—Ga4^xiii	3.110 (7)	O2—O2^xv	6.28 (4)
Ta—Ga3^ix	3.128 (7)	O2—O1^xxiii	6.80 (4)
Ta—Ga3^xiv	3.128 (7)	O2—O1^xliii	6.85 (6)
Ta—Ga4^xv	3.149 (7)	O2—O2^ii	6.53 (4)
Ta—Ga4^xvi	3.149 (7)	O2—O2^xiii	6.53 (4)
Ga2—O1^xvii	1.780 (14)	O2—O1^xliv	7.04 (6)
Ga2—O3^iii	1.89 (3)	O2—O1^xxii	7.07 (5)
Ga2—O2	1.85 (3)	O2—O1^xlv	7.31 (6)
Ga2—O4	1.81 (4)	O2—O3^xxiv	7.38 (4)
Ga2—O1^ii	3.250 (14)	O2—O3^xlvi	7.53 (4)
Ga2—La1^xiii	3.368 (8)	O2—O1^xlvii	7.48 (6)
Ga2—La1^xv	3.516 (8)	O2—O1^xlviii	7.44 (3)
Ga2—La2^xviii	3.510 (6)	O3—Ga2^xxviii	1.89 (3)
Ga2—La1^xviii	3.528 (8)	O3—Ga4^xxviii	1.77 (4)
Ga2—O2^xix	3.96 (3)	O3—La1^xxviii	2.40 (3)
Ga3—O2^vii	1.92 (2)	O3—O5^ix	2.48 (5)
Ga3—O2^xx	1.92 (2)	O3—La1^x	2.78 (4)
Ga3—O5^i	1.88 (3)	O3—O2^xxviii	2.63 (4)
Ga3—O5^xxi	1.88 (3)	O3—O7	2.74 (5)
Ga3—Ta^iv	3.128 (7)	O3—O4^xxviii	2.59 (4)
Ga3—Ta^xxii	3.128 (7)	O3—O1^i	2.82 (4)
Ga3—O1^xxiii	3.56 (5)	O3—O4^xxix	2.44 (5)
Ga3—O1^ii	3.56 (5)	O3—O6^xxxiii	2.96 (4)
Ga3—O3^v	4.05 (4)	O3—O1^xxix	3.07 (3)
Ga3—O3^xxiv	4.05 (4)	O3—O6^x	2.97 (4)
Ga3—O3^ii	4.25 (4)	O3—Ga1^xlix	3.47 (3)
Ga3—O3^xxiii	4.25 (4)	O3—Ta^xlix	3.47 (3)
Ga4—O4^xvii	1.87 (3)	O3—O1^xxv	3.60 (7)
Ga4—O7^iii	1.77 (3)	O3—O4^i	3.77 (3)
Ga4—O3^iii	1.77 (4)	O3—Ga2^xxix	3.63 (4)
Ga4—O6^xv	1.84 (3)	O3—O6^xxviii	4.02 (5)
Ga4—Ta^xxv	3.110 (7)	O3—Ga3^l	4.05 (4)
Ga4—Ta^xxvi	3.148 (7)	O3—La1^xxx	3.96 (3)
Ga4—O1^iv	3.62 (5)	O3—La1^xxxiii	4.20 (3)
Ga4—O1^xvii	3.47 (4)	O3—La2^xxviii	4.29 (3)
Ga4—O2^xv	3.91 (3)	O3—Ga4^xxxiii	4.40 (3)
Ga4—O3^xxvii	4.40 (3)	O3—Ga3^xxx	4.25 (4)
Ga4—O2	4.15 (3)	O3—O5^xxxv	4.29 (5)
Ga4—O2^xvii	4.40 (3)	O3—Ga4^xxxvi	4.32 (3)
O1—Ga2^xv	1.780 (14)	O3—O2^xxxiii	4.36 (3)
O1—La2^xxviii	2.61 (4)	O3—Ga2^xxxvi	4.46 (3)
O1—La1^ix	2.50 (6)	O3—O7^li	4.30 (5)
O1—La1^xiii	2.41 (5)	O3—O3^lii	4.52 (2)
O1—O3^i	2.82 (4)	O3—O3^xxxv	4.52 (2)
O1—O2^xiii	2.75 (4)	O3—O1^xxviii	4.61 (6)
O1—O4^xiii	3.19 (5)	O3—O5^xxxi	4.68 (5)
O1—O7^xii	3.19 (6)	O3—La2^xlix	4.46 (3)
O1—O3^xxix	3.07 (3)	O3—Ga2^xxxiii	4.78 (4)
O1—O6^ix	2.88 (6)	O3—O7^liii	4.60 (4)
O1—O2^xv	3.18 (4)	O3—Ga1^liv	4.68 (3)
O1—O4^xv	2.97 (5)	O3—Ta^liv	4.68 (3)
O1—O5^xii	3.31 (7)	O3—O6^lv	4.77 (5)
O1—Ga2^xiii	3.250 (14)	O3—Ga4^xxxv	4.79 (3)
O1—Ga4^ix	3.62 (5)	O3—O2^x	4.83 (4)
O1—Ga3^xxx	3.56 (5)	O3—O7^xxxv	5.06 (4)
O1—Ga4^xv	3.47 (4)	O3—O5^lvi	4.92 (6)
O1—O4	3.06 (5)	O3—O3^xx	5.0210 (3)
O1—O2^xxviii	3.89 (6)	O3—O3^xviii	5.0210 (3)
O1—O3^xii	3.60 (7)	O3—O3^lvii	5.08 (3)
O1—O6^xiii	4.32 (6)	O3—O3^xxxi	5.08 (3)
O1—O5^x	4.16 (6)	O3—Ga4^xxix	4.97 (4)
O1—O7^xxxi	4.37 (4)	O3—O7^xxxi	5.32 (5)
O1—O2^ix	4.36 (6)	O3—La2^xxx	5.32 (3)
O1—Ga4^xxxii	4.67 (4)	O3—Ga2^i	5.24 (3)
O1—O3^iii	4.61 (6)	O3—O2^xv	5.57 (5)
O1—Ga4^xiii	4.49 (3)	O3—O2^lv	5.51 (4)
O1—Ga3^xxviii	4.59 (4)	O3—Ta^xxv	5.34 (4)
O1—O4^xxviii	5.44 (5)	O3—Ga1^xxv	5.34 (4)
O1—Ta^xxviii	4.80 (4)	O3—O2^xxix	5.33 (5)
O1—Ga1^xxviii	4.80 (4)	O3—La2^liv	5.46 (3)
O1—Ta^xxv	4.65 (6)	O3—Ga3^lv	5.63 (3)
O1—Ga1^xxv	4.65 (6)	O3—O1^xxvi	5.59 (5)
O1—O5^xxxiii	4.55 (6)	O3—O2^xxx	5.57 (4)
O1—O7^i	4.75 (5)	O3—O2^xxxvi	5.76 (4)
O1—La2^xxx	4.86 (3)	O3—O2^xiii	5.95 (4)
O1—La1^xiv	4.80 (3)	O3—O2^i	5.72 (4)
O1—La1^xv	4.76 (3)	O3—La1^i	5.84 (3)
O1—O6^xxxiv	4.59 (6)	O3—La2^lv	6.14 (4)
O1—O6^xv	5.05 (5)	O3—O2^xlix	6.31 (4)
O1—O7^xxxv	4.84 (5)	O3—O1^xxx	6.29 (5)
O1—Ga2^xxviii	4.94 (5)	O3—O3^li	6.43 (7)
O1—Ga2^ix	4.90 (6)	O3—O1^lviii	6.71 (4)
O1—O1^i	5.08 (9)	O3—O1^lvii	6.88 (5)
O1—O5^xxxi	5.09 (7)	O3—O3^liii	6.83 (6)
O1—O1^xiii	4.81 (4)	O3—O1^lii	6.99 (5)
O1—O1^ii	4.81 (4)	O3—O1^xxxvi	7.30 (5)
O1—O1^xx	5.0210 (1)	O3—O2^l	7.38 (4)
O1—O1^xviii	5.0210 (2)	O3—O2^lix	7.53 (4)
O1—Ga4^xxxiii	5.36 (4)	O3—O1^xxxi	7.46 (7)
O1—Ga3^xiv	5.19 (5)	O3—O1^xxxv	7.56 (7)
O1—O3^xvi	5.59 (5)	O3—O1^xviii	7.62 (5)
O1—O2^xxxvi	5.87 (4)	O4—Ga4^xv	1.87 (3)
O1—O1^xxix	5.85 (8)	O4—La1^xiii	2.19 (3)
O1—O1^xvii	5.62 (4)	O4—O3^iii	2.59 (4)
O1—O1^xv	5.62 (4)	O4—O3^xxix	2.44 (5)
O1—Ga2^xxxvi	5.82 (4)	O4—O1^ii	3.19 (5)
O1—Ga2^xxxii	5.78 (5)	O4—O1^xvii	2.97 (5)
O1—La1^xxxiv	5.89 (6)	O4—O3^i	3.77 (3)
O1—La1^xxviii	5.88 (5)	O4—O2^xv	3.64 (5)
O1—O3	6.30 (6)	O5—Ga3^liv	1.88 (3)
O1—O2	6.06 (5)	O5—Ta^lx	1.95 (4)
O1—O2^xxxii	6.19 (5)	O5—Ga1^lx	1.95 (4)
O1—O3^xxiii	6.29 (5)	O5—La1^i	2.47 (4)
O1—La2^xxxvi	6.357 (19)	O5—O3^iv	2.48 (5)
O1—La1^xxxii	6.31 (3)	O5—O2^xlix	3.04 (4)
O1—La1^xxxvii	6.28 (2)	O5—O2^xxix	2.96 (4)
O1—O2^xxx	6.80 (4)	O5—O1^xxv	3.31 (7)
O1—O3^xxxviii	6.71 (4)	O5—O2^i	3.35 (4)
O1—O2^viii	6.85 (6)	O5—O1^v	4.16 (6)
O1—O3^xxxi	6.88 (5)	O5—O3^lii	4.29 (5)
O1—O2^xxxix	7.04 (6)	O5—O3^lvii	4.68 (5)
O1—O3^xxxv	6.99 (5)	O6—Ga4^xvii	1.84 (3)
O1—O2^xiv	7.07 (5)	O6—Ta^iv	1.91 (3)
O1—O3^xl	7.30 (5)	O6—Ga1^iv	1.91 (3)
O2—Ga3^xviii	1.92 (2)	O6—O3^xxvii	2.96 (4)
O2—O6	2.78 (4)	O6—O1^iv	2.88 (6)
O2—O3^iii	2.63 (4)	O6—O3^v	2.97 (4)
O2—O5^vi	3.04 (4)	O6—O3^iii	4.02 (5)
O2—O1^ii	2.75 (4)	O6—O1^ii	4.32 (6)
O2—O5^xxix	2.96 (4)	O6—O2^xix	4.77 (4)
O2—O4	3.20 (5)	O6—O2^vii	4.66 (4)
O2—O2^xix	3.38 (5)	O7—Ga4^xxviii	1.77 (3)
O2—O1^xvii	3.18 (4)	O7—Ta^xlix	2.04 (3)
O2—O5^i	3.35 (4)	O7—Ga1^xlix	2.04 (3)
O2—Ta^iv	3.38 (3)	O7—La2^xlix	2.36 (3)
O2—Ga1^iv	3.38 (3)	O7—O1^xxv	3.19 (6)
O2—O1^iii	3.89 (6)	O7—O2^xlix	4.06 (5)
O2—O2^vii	3.83 (5)	O7—O1^lvii	4.37 (4)
O2—Ga2^xix	3.96 (3)	O7—O2^xxix	4.41 (4)
O2—O7^vi	4.06 (5)	O7—O3^li	4.30 (5)
O2—Ga4^xvii	3.91 (3)	O7—O2^i	4.59 (5)
O2—La2^xviii	4.19 (2)	O7—O3^liii	4.60 (4)

Symmetry codes: (i) −x, y, −z+1; (ii) −x, y+1/2, −z+1/2; (iii) x, y+1/2, z−1/2; (iv) x, y+1, z; (v) −x, y+1, −z+1; (vi) x, y, z−1; (vii) −x, y, −z; (viii) −x, y−1, −z; (ix) x, y−1, z; (x) −x, y−1, −z+1; (xi) x, y−1, z−1; (xii) x, y−1/2, z−1/2; (xiii) −x, y−1/2, −z+1/2; (xiv) x+1, y−1, z; (xv) −x+1, y−1/2, −z+1/2; (xvi) x−1, y−1/2, z−1/2; (xvii) −x+1, y+1/2, −z+1/2; (xviii) x+1, y, z; (xix) −x+1, y, −z; (xx) x−1, y, z; (xxi) x−1, y, z−1; (xxii) x−1, y+1, z; (xxiii) x−1, y+1/2, z−1/2; (xxiv) x−1, y+1, z−1; (xxv) x, y+1/2, z+1/2; (xxvi) x+1, y+1/2, z+1/2; (xxvii) −x+1, y+1, −z+1; (xxviii) x, y−1/2, z+1/2; (xxix) −x+1, y, −z+1; (xxx) x+1, y−1/2, z+1/2; (xxxi) −x, y−1/2, −z+3/2; (xxxii) x−1, y−1, z; (xxxiii) −x+1, y−1, −z+1; (xxxiv) −x, y−3/2, −z+1/2; (xxxv) −x+1, y−1/2, −z+3/2; (xxxvi) x−1, y−1/2, z+1/2; (xxxvii) −x−1, y−1/2, −z+1/2; (xxxviii) x+1, y−1/2, z−1/2; (xxxix) −x+1, y−1, −z; (xl) x+1, y+1/2, z−1/2; (xli) x+1, y+1, z; (xlii) x, y+1, z−1; (xliii) −x, y+1, −z; (xliv) −x+1, y+1, −z; (xlv) −x, y+3/2, −z+1/2; (xlvi) x+1, y+1, z−1; (xlvii) −x+1, y+3/2, −z+1/2; (xlviii) −x−1, y+1/2, −z+1/2; (xlix) x, y, z+1; (l) x+1, y−1, z+1; (li) −x+1, y, −z+2; (lii) −x+1, y+1/2, −z+3/2; (liii) −x, y, −z+2; (liv) x+1, y, z+1; (lv) x, y−1, z+1; (lvi) −x+1, y−1, −z+2; (lvii) −x, y+1/2, −z+3/2; (lviii) x−1, y+1/2, z+1/2; (lix) x−1, y−1, z+1; (lx) x, y+1, z+1.

(12.8d3split)

Crystal data

Ga5.54La3O14Ta0.46	V = 276.3 Å^3
Mr = 1110.22	Z = 1
?, ?	F(000) = 488
a = 7.972 Å	Dx = 6.671 Mg m^−3
b = 7.972 Å	Ag Kα radiation, λ = 0.56000 Å
c = 5.021 Å	µ = 15.42 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.000
Graphite monochromator	θmax = 23.0°, θmin = 3.2°
483 measured reflections	h = −10→10
483 independent reflections	k = −11→11
483 reflections with I > 2σ(I)	l = −6→6

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.045	(Δ/σ)max < 0.001
wR(F^2) = 0.130	Δρmax = 2.02 e Å^−3
S = 1.07	Δρmin = −2.22 e Å^−3
483 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
33 parameters	Extinction coefficient: 0.040 (8)
0 restraints	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.11 (11)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La	−0.43537 (16)	0.0000	0.0000	0.0190 (4)
Ga1	0.0000	0.0000	0.0000	0.0231 (6)	0.50
Ta	0.0000	0.0000	0.0000	0.0231 (6)	0.50
Ga2	−0.6667	−0.3333	0.4801 (4)	0.0170 (6)
Ga3	0.0000	0.2341 (3)	0.5000	0.0176 (5)
O1	−0.3333	0.3333	0.163 (3)	0.019 (3)*
O2	−0.720 (2)	−0.168 (2)	0.293 (3)	0.025 (4)*	0.76 (4)
O22	−0.518 (5)	0.098 (5)	−0.375 (6)	0.006 (9)*	0.24 (4)
O3	−0.148 (2)	0.079 (2)	0.237 (2)	0.041 (3)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La	0.0257 (6)	0.0130 (5)	0.0141 (6)	0.0065 (3)	−0.0012 (2)	−0.0024 (4)
Ga1	0.0304 (8)	0.0304 (8)	0.0084 (8)	0.0152 (4)	0.000	0.000
Ta	0.0304 (8)	0.0304 (8)	0.0084 (8)	0.0152 (4)	0.000	0.000
Ga2	0.0178 (7)	0.0178 (7)	0.0155 (11)	0.0089 (4)	0.000	0.000
Ga3	0.0227 (11)	0.0179 (7)	0.0137 (8)	0.0113 (6)	−0.0078 (7)	−0.0039 (4)

Geometric parameters (Å, º)

La—O22	2.26 (3)	Ta—Ga3^xi	3.1284 (14)
La—O22^i	2.26 (3)	Ta—Ga3^vi	3.1284 (14)
La—O3^i	2.369 (14)	Ga2—O1^xii	1.791 (16)
La—O3	2.369 (14)	Ga2—O22^xiii	1.79 (3)
La—O2	2.464 (15)	Ga2—O22^ii	1.79 (3)
La—O2^i	2.464 (15)	Ga2—O22^i	1.79 (3)
La—O1^ii	2.497 (5)	Ga2—O2^iv	1.836 (14)
La—O1	2.497 (5)	Ga2—O2^xiv	1.836 (14)
La—O2^iii	2.633 (16)	Ga2—O2	1.836 (14)
La—O2^iv	2.633 (16)	Ga2—La^iv	3.3722 (16)
La—Ga2	3.3723 (16)	Ga2—La^ii	3.3723 (16)
La—Ga2^iii	3.3723 (16)	Ga2—La^xv	3.5180 (16)
Ga1—O3^v	1.991 (13)	Ga2—La^xvi	3.5180 (16)
Ga1—O3	1.991 (13)	Ga3—O3^xvii	1.790 (13)
Ga1—O3^vi	1.991 (13)	Ga3—O3	1.790 (13)
Ga1—O3^vii	1.991 (13)	Ga3—O22^iii	1.83 (3)
Ga1—O3^viii	1.991 (13)	Ga3—O22^xviii	1.83 (3)
Ga1—O3^i	1.991 (13)	Ga3—O2^xix	1.867 (14)
Ga1—La^v	3.4708 (13)	Ga3—O2^xx	1.867 (14)
Ga1—La^vii	3.4708 (13)	Ga3—Ta^xvi	3.1284 (14)
Ta—O3^v	1.991 (13)	O1—Ga2^xx	1.791 (16)
Ta—O3	1.991 (13)	O1—La^iii	2.497 (5)
Ta—O3^vi	1.991 (13)	O1—La^xxi	2.497 (5)
Ta—O3^vii	1.991 (13)	O2—O22^i	0.84 (3)
Ta—O3^viii	1.991 (13)	O2—Ga3^xii	1.867 (14)
Ta—O3^i	1.991 (13)	O2—La^ii	2.633 (16)
Ta—Ga3^v	3.1284 (14)	O22—O2^i	0.84 (3)
Ta—Ga3^ix	3.1284 (14)	O22—Ga2^iii	1.79 (3)
Ta—Ga3^x	3.1284 (14)	O22—Ga3^ii	1.83 (3)
Ta—Ga3	3.1284 (14)
O22—La—O22^i	124.4 (16)	Ga3^ix—Ta—Ga3	145.28 (3)
O22—La—O3^i	92.2 (9)	Ga3^x—Ta—Ga3	62.23 (5)
O22^i—La—O3^i	137.6 (9)	O3^v—Ta—Ga3^xi	88.2 (4)
O22—La—O3	137.6 (9)	O3—Ta—Ga3^xi	96.6 (4)
O22^i—La—O3	92.2 (9)	O3^vi—Ta—Ga3^xi	158.4 (4)
O3^i—La—O3	67.2 (6)	O3^vii—Ta—Ga3^xi	113.4 (4)
O22—La—O2	109.6 (9)	O3^viii—Ta—Ga3^xi	32.1 (4)
O22^i—La—O2	19.8 (8)	O3^i—Ta—Ga3^xi	55.7 (4)
O3^i—La—O2	137.2 (5)	Ga3^v—Ta—Ga3^xi	62.23 (5)
O3—La—O2	110.5 (4)	Ga3^ix—Ta—Ga3^xi	62.23 (5)
O22—La—O2^i	19.8 (8)	Ga3^x—Ta—Ga3^xi	145.29 (3)
O22^i—La—O2^i	109.5 (9)	Ga3—Ta—Ga3^xi	106.74 (7)
O3^i—La—O2^i	110.5 (4)	O3^v—Ta—Ga3^vi	113.4 (4)
O3—La—O2^i	137.2 (5)	O3—Ta—Ga3^vi	55.7 (4)
O2—La—O2^i	98.9 (7)	O3^vi—Ta—Ga3^vi	32.1 (4)
O22—La—O1^ii	84.6 (9)	O3^vii—Ta—Ga3^vi	88.2 (4)
O22^i—La—O1^ii	84.3 (9)	O3^viii—Ta—Ga3^vi	158.4 (4)
O3^i—La—O1^ii	78.1 (4)	O3^i—Ta—Ga3^vi	96.6 (4)
O3—La—O1^ii	123.3 (4)	Ga3^v—Ta—Ga3^vi	145.29 (3)
O2—La—O1^ii	68.2 (4)	Ga3^ix—Ta—Ga3^vi	106.74 (7)
O2^i—La—O1^ii	95.9 (4)	Ga3^x—Ta—Ga3^vi	62.23 (5)
O22—La—O1	84.3 (9)	Ga3—Ta—Ga3^vi	62.23 (5)
O22^i—La—O1	84.6 (9)	Ga3^xi—Ta—Ga3^vi	145.28 (3)
O3^i—La—O1	123.3 (4)	O1^xii—Ga2—O22^xiii	107.2 (10)
O3—La—O1	78.1 (4)	O1^xii—Ga2—O22^ii	107.2 (10)
O2—La—O1	95.9 (4)	O22^xiii—Ga2—O22^ii	111.6 (9)
O2^i—La—O1	68.2 (4)	O1^xii—Ga2—O22^i	107.2 (10)
O1^ii—La—O1	156.18 (8)	O22^xiii—Ga2—O22^i	111.6 (9)
O22—La—O2^iii	59.7 (9)	O22^ii—Ga2—O22^i	111.6 (9)
O22^i—La—O2^iii	149.9 (9)	O1^xii—Ga2—O2^iv	120.8 (4)
O3^i—La—O2^iii	64.3 (5)	O22^xiii—Ga2—O2^iv	26.7 (11)
O3—La—O2^iii	77.9 (4)	O22^ii—Ga2—O2^iv	121.5 (12)
O2—La—O2^iii	158.4 (2)	O22^i—Ga2—O2^iv	85.2 (11)
O2^i—La—O2^iii	64.7 (6)	O1^xii—Ga2—O2^xiv	120.8 (4)
O1^ii—La—O2^iii	124.9 (4)	O22^xiii—Ga2—O2^xiv	85.2 (11)
O1—La—O2^iii	65.6 (4)	O22^ii—Ga2—O2^xiv	26.7 (11)
O22—La—O2^iv	149.9 (9)	O22^i—Ga2—O2^xiv	121.5 (12)
O22^i—La—O2^iv	59.7 (9)	O2^iv—Ga2—O2^xiv	96.2 (6)
O3^i—La—O2^iv	77.9 (4)	O1^xii—Ga2—O2	120.8 (4)
O3—La—O2^iv	64.3 (5)	O22^xiii—Ga2—O2	121.5 (12)
O2—La—O2^iv	64.7 (6)	O22^ii—Ga2—O2	85.2 (11)
O2^i—La—O2^iv	158.4 (2)	O22^i—Ga2—O2	26.7 (11)
O1^ii—La—O2^iv	65.6 (4)	O2^iv—Ga2—O2	96.2 (6)
O1—La—O2^iv	124.9 (4)	O2^xiv—Ga2—O2	96.2 (6)
O2^iii—La—O2^iv	134.5 (6)	O1^xii—Ga2—La^iv	135.63 (3)
O22—La—Ga2	136.7 (8)	O22^xiii—Ga2—La^iv	38.3 (10)
O22^i—La—Ga2	29.5 (8)	O22^ii—Ga2—La^iv	77.2 (11)
O3^i—La—Ga2	109.3 (3)	O22^i—Ga2—La^iv	111.9 (10)
O3—La—Ga2	85.7 (3)	O2^iv—Ga2—La^iv	45.6 (5)
O2—La—Ga2	32.1 (3)	O2^xiv—Ga2—La^iv	50.9 (5)
O2^i—La—Ga2	130.4 (3)	O2—Ga2—La^iv	103.5 (4)
O1^ii—La—Ga2	64.8 (3)	O1^xii—Ga2—La	135.63 (3)
O1—La—Ga2	111.3 (3)	O22^xiii—Ga2—La	77.2 (10)
O2^iii—La—Ga2	163.6 (3)	O22^ii—Ga2—La	111.9 (10)
O2^iv—La—Ga2	32.8 (3)	O22^i—Ga2—La	38.3 (10)
O22—La—Ga2^iii	29.5 (8)	O2^iv—Ga2—La	50.9 (5)
O22^i—La—Ga2^iii	136.7 (8)	O2^xiv—Ga2—La	103.5 (4)
O3^i—La—Ga2^iii	85.7 (3)	O2—Ga2—La	45.6 (5)
O3—La—Ga2^iii	109.3 (3)	La^iv—Ga2—La	74.55 (4)
O2—La—Ga2^iii	130.4 (3)	O1^xii—Ga2—La^ii	135.63 (3)
O2^i—La—Ga2^iii	32.1 (3)	O22^xiii—Ga2—La^ii	111.9 (10)
O1^ii—La—Ga2^iii	111.3 (3)	O22^ii—Ga2—La^ii	38.3 (10)
O1—La—Ga2^iii	64.8 (3)	O22^i—Ga2—La^ii	77.2 (10)
O2^iii—La—Ga2^iii	32.8 (3)	O2^iv—Ga2—La^ii	103.5 (4)
O2^iv—La—Ga2^iii	163.6 (3)	O2^xiv—Ga2—La^ii	45.6 (5)
Ga2—La—Ga2^iii	162.42 (4)	O2—Ga2—La^ii	50.9 (5)
O3^v—Ga1—O3	164.0 (9)	La^iv—Ga2—La^ii	74.55 (4)
O3^v—Ga1—O3^vi	82.4 (8)	La—Ga2—La^ii	74.55 (4)
O3—Ga1—O3^vi	87.8 (5)	O1^xii—Ga2—La^xv	42.09 (2)
O3^v—Ga1—O3^vii	104.3 (8)	O22^xiii—Ga2—La^xv	70.7 (10)
O3—Ga1—O3^vii	87.8 (5)	O22^ii—Ga2—La^xv	102.1 (10)
O3^vi—Ga1—O3^vii	87.8 (5)	O22^i—Ga2—La^xv	141.2 (10)
O3^v—Ga1—O3^viii	87.8 (5)	O2^iv—Ga2—La^xv	93.4 (5)
O3—Ga1—O3^viii	104.3 (8)	O2^xiv—Ga2—La^xv	97.2 (5)
O3^vi—Ga1—O3^viii	164.0 (9)	O2—Ga2—La^xv	162.6 (4)
O3^vii—Ga1—O3^viii	82.4 (8)	La^iv—Ga2—La^xv	93.534 (7)
O3^v—Ga1—O3^i	87.8 (5)	La—Ga2—La^xv	139.891 (4)
O3—Ga1—O3^i	82.4 (8)	La^ii—Ga2—La^xv	139.891 (4)
O3^vi—Ga1—O3^i	104.3 (8)	O1^xii—Ga2—La^xvi	42.09 (2)
O3^vii—Ga1—O3^i	164.0 (9)	O22^xiii—Ga2—La^xvi	102.1 (10)
O3^viii—Ga1—O3^i	87.8 (5)	O22^ii—Ga2—La^xvi	141.2 (10)
O3^v—Ga1—La^v	41.2 (4)	O22^i—Ga2—La^xvi	70.7 (10)
O3—Ga1—La^v	127.8 (4)	O2^iv—Ga2—La^xvi	97.2 (5)
O3^vi—Ga1—La^v	41.2 (4)	O2^xiv—Ga2—La^xvi	162.6 (4)
O3^vii—Ga1—La^v	98.0 (5)	O2—Ga2—La^xvi	93.4 (5)
O3^viii—Ga1—La^v	127.9 (4)	La^iv—Ga2—La^xvi	139.891 (4)
O3^i—Ga1—La^v	98.0 (5)	La—Ga2—La^xvi	93.533 (7)
O3^v—Ga1—La	127.8 (4)	La^ii—Ga2—La^xvi	139.889 (4)
O3—Ga1—La	41.2 (4)	La^xv—Ga2—La^xvi	70.98 (4)
O3^vi—Ga1—La	98.0 (5)	O3^xvii—Ga3—O3	137.7 (9)
O3^vii—Ga1—La	127.8 (4)	O3^xvii—Ga3—O22^iii	110.7 (12)
O3^viii—Ga1—La	98.0 (5)	O3—Ga3—O22^iii	105.6 (11)
O3^i—Ga1—La	41.2 (4)	O3^xvii—Ga3—O22^xviii	105.6 (11)
La^v—Ga1—La	120.0	O3—Ga3—O22^xviii	110.7 (12)
O3^v—Ga1—La^vii	98.0 (5)	O22^iii—Ga3—O22^xviii	61 (2)
O3—Ga1—La^vii	98.0 (5)	O3^xvii—Ga3—O2^xix	104.7 (7)
O3^vi—Ga1—La^vii	127.9 (4)	O3—Ga3—O2^xix	98.3 (6)
O3^vii—Ga1—La^vii	41.2 (4)	O22^iii—Ga3—O2^xix	26.1 (11)
O3^viii—Ga1—La^vii	41.2 (4)	O22^xviii—Ga3—O2^xix	86.7 (12)
O3^i—Ga1—La^vii	127.8 (4)	O3^xvii—Ga3—O2^xx	98.3 (6)
La^v—Ga1—La^vii	120.0	O3—Ga3—O2^xx	104.7 (7)
La—Ga1—La^vii	120.0	O22^iii—Ga3—O2^xx	86.7 (12)
O3^v—Ta—O3	164.0 (9)	O22^xviii—Ga3—O2^xx	26.1 (11)
O3^v—Ta—O3^vi	82.4 (8)	O2^xix—Ga3—O2^xx	112.9 (10)
O3—Ta—O3^vi	87.8 (5)	O3^xvii—Ga3—Ta^xvi	36.3 (4)
O3^v—Ta—O3^vii	104.3 (8)	O3—Ga3—Ta^xvi	112.1 (4)
O3—Ta—O3^vii	87.8 (5)	O22^iii—Ga3—Ta^xvi	142.3 (10)
O3^vi—Ta—O3^vii	87.8 (5)	O22^xviii—Ga3—Ta^xvi	103.8 (10)
O3^v—Ta—O3^viii	87.8 (5)	O2^xix—Ga3—Ta^xvi	141.0 (4)
O3—Ta—O3^viii	104.3 (8)	O2^xx—Ga3—Ta^xvi	83.3 (5)
O3^vi—Ta—O3^viii	164.0 (9)	O3^xvii—Ga3—Ta	112.1 (4)
O3^vii—Ta—O3^viii	82.4 (8)	O3—Ga3—Ta	36.3 (4)
O3^v—Ta—O3^i	87.8 (5)	O22^iii—Ga3—Ta	103.8 (10)
O3—Ta—O3^i	82.4 (8)	O22^xviii—Ga3—Ta	142.3 (10)
O3^vi—Ta—O3^i	104.3 (8)	O2^xix—Ga3—Ta	83.3 (5)
O3^vii—Ta—O3^i	164.0 (9)	O2^xx—Ga3—Ta	141.0 (5)
O3^viii—Ta—O3^i	87.8 (5)	Ta^xvi—Ga3—Ta	106.74 (7)
O3^v—Ta—Ga3^v	32.1 (4)	Ga2^xx—O1—La^iii	109.2 (3)
O3—Ta—Ga3^v	158.4 (4)	Ga2^xx—O1—La	109.2 (3)
O3^vi—Ta—Ga3^v	113.4 (4)	La^iii—O1—La	109.8 (3)
O3^vii—Ta—Ga3^v	96.6 (4)	Ga2^xx—O1—La^xxi	109.2 (3)
O3^viii—Ta—Ga3^v	55.7 (4)	La^iii—O1—La^xxi	109.8 (3)
O3^i—Ta—Ga3^v	88.2 (4)	La—O1—La^xxi	109.8 (3)
O3^v—Ta—Ga3^ix	55.7 (4)	O22^i—O2—Ga2	74 (2)
O3—Ta—Ga3^ix	113.4 (4)	O22^i—O2—Ga3^xii	75 (2)
O3^vi—Ta—Ga3^ix	96.6 (4)	Ga2—O2—Ga3^xii	115.4 (7)
O3^vii—Ta—Ga3^ix	158.4 (4)	O22^i—O2—La	66 (2)
O3^viii—Ta—Ga3^ix	88.2 (4)	Ga2—O2—La	102.3 (7)
O3^i—Ta—Ga3^ix	32.1 (4)	Ga3^xii—O2—La	113.6 (7)
Ga3^v—Ta—Ga3^ix	62.23 (5)	O22^i—O2—La^ii	165 (2)
O3^v—Ta—Ga3^x	96.6 (4)	Ga2—O2—La^ii	96.3 (6)
O3—Ta—Ga3^x	88.2 (4)	Ga3^xii—O2—La^ii	120.1 (8)
O3^vi—Ta—Ga3^x	55.7 (4)	La—O2—La^ii	106.5 (5)
O3^vii—Ta—Ga3^x	32.1 (4)	O2^i—O22—Ga2^iii	80 (3)
O3^viii—Ta—Ga3^x	113.4 (4)	O2^i—O22—Ga3^ii	79 (2)
O3^i—Ta—Ga3^x	158.4 (4)	Ga2^iii—O22—Ga3^ii	119.5 (18)
Ga3^v—Ta—Ga3^x	106.74 (7)	O2^i—O22—La	94 (2)
Ga3^ix—Ta—Ga3^x	145.29 (3)	Ga2^iii—O22—La	112.2 (15)
O3^v—Ta—Ga3	158.4 (4)	Ga3^ii—O22—La	125.3 (17)
O3—Ta—Ga3	32.1 (4)	Ga3—O3—Ta	111.6 (8)
O3^vi—Ta—Ga3	88.2 (4)	Ga3—O3—Ga1	111.6 (8)
O3^vii—Ta—Ga3	55.7 (4)	Ta—O3—Ga1	0.0
O3^viii—Ta—Ga3	96.6 (4)	Ga3—O3—La	140.5 (7)
O3^i—Ta—Ga3	113.4 (4)	Ta—O3—La	105.2 (5)
Ga3^v—Ta—Ga3	145.28 (3)	Ga1—O3—La	105.2 (5)

Symmetry codes: (i) x−y, −y, −z; (ii) y−1, x, −z; (iii) y, x+1, −z; (iv) −x+y−1, −x−1, z; (v) y, x, −z; (vi) −y, x−y, z; (vii) −x+y, −x, z; (viii) −x, −x+y, −z; (ix) −y, x−y, z−1; (x) y, x, −z+1; (xi) x, y, z−1; (xii) y−1, x, −z+1; (xiii) −x−1, −x+y−1, −z; (xiv) −y−1, x−y, z; (xv) −x+y−1, −x−1, z+1; (xvi) x, y, z+1; (xvii) −x, −x+y, −z+1; (xviii) −y, x−y+1, z+1; (xix) −y, x−y+1, z; (xx) y, x+1, −z+1; (xxi) −x+y−1, −x, z.

(13.1d3)

Crystal data

Ga5.50La3Nb0.50O14	V = 275.1 Å^3
Mr = 1070.65	Z = 1
?, ?	F(000) = 474
a = 7.953 Å	Dx = 6.462 Mg m^−3
b = 7.953 Å	Ag Kα radiation, λ = 0.56000 Å
c = 5.023 Å	µ = 14.67 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.000
Graphite monochromator	θmax = 22.9°, θmin = 3.2°
473 measured reflections	h = −9→9
473 independent reflections	k = −5→5
469 reflections with I > 2σ(I)	l = −6→6

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.045	(Δ/σ)max = 0.019
wR(F^2) = 0.131	Δρmax = 2.23 e Å^−3
S = 1.08	Δρmin = −1.75 e Å^−3
473 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
39 parameters	Extinction coefficient: 0.019 (7)
0 restraints	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.00 (11)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La	−0.43418 (15)	0.0000	0.0000	0.0193 (4)
Ga1	0.0000	0.0000	0.0000	0.0225 (7)	0.50
Ga2	−0.6667	−0.3333	0.4810 (6)	0.0178 (6)
Ga3	−0.7666 (3)	0.0000	−0.5000	0.0179 (5)
Nb	0.0000	0.0000	0.0000	0.0225 (7)	0.50
O1	−0.3333	0.3333	0.168 (4)	0.014 (3)
O2	−0.447 (2)	−0.295 (3)	0.302 (3)	0.055 (5)
O3	−0.2200 (18)	−0.069 (2)	−0.239 (3)	0.043 (4)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La	0.0227 (5)	0.0110 (5)	0.0202 (6)	0.0055 (3)	−0.0010 (2)	−0.0019 (4)
Ga1	0.0266 (10)	0.0266 (10)	0.0142 (15)	0.0133 (5)	0.000	0.000
Ga2	0.0180 (8)	0.0180 (8)	0.0174 (12)	0.0090 (4)	0.000	0.000
Ga3	0.0168 (7)	0.0205 (10)	0.0177 (9)	0.0103 (5)	0.0033 (4)	0.0066 (8)
Nb	0.0266 (10)	0.0266 (10)	0.0142 (15)	0.0133 (5)	0.000	0.000
O1	0.013 (4)	0.013 (4)	0.015 (7)	0.0066 (19)	0.000	0.000
O2	0.045 (9)	0.088 (13)	0.040 (8)	0.039 (8)	−0.015 (7)	−0.038 (9)
O3	0.027 (6)	0.074 (12)	0.035 (8)	0.030 (6)	−0.012 (5)	−0.034 (7)

Bond lengths (Å)

La—O3	2.362 (12)	O2—O3^xiii	2.928 (17)
La—O3^i	2.362 (12)	O2—O2^xlvi	2.89 (3)
La—O2^ii	2.405 (15)	O2—O1^x	3.12 (2)
La—O2^iii	2.405 (15)	O2—O3	3.26 (2)
La—O1	2.502 (6)	O2—O1^xlvii	3.556 (16)
La—O1^iv	2.502 (6)	O2—O2^vii	3.68 (3)
La—O2	2.75 (2)	O2—Ga2^xlvi	3.659 (18)
La—O2^i	2.75 (2)	O2—O3^xlviii	3.86 (2)
La—Ga2	3.374 (2)	O2—Ga3^v	4.044 (18)
La—Ga2^v	3.374 (2)	O2—La^xii	3.975 (18)
La—Nb	3.4528 (12)	O2—La^xiii	4.195 (13)
La—Ga1	3.4528 (12)	O2—Ga3^xi	4.301 (15)
Ga1—O3^vi	1.958 (12)	O2—La^iv	4.245 (15)
Ga1—O3^i	1.959 (12)	O2—O3^xlix	4.33 (2)
Ga1—O3	1.959 (12)	O2—O3^xii	4.26 (2)
Ga1—O3^vii	1.959 (12)	O2—Ga3^iv	4.232 (19)
Ga1—O3^viii	1.959 (12)	O2—Ga3^xiii	4.354 (15)
Ga1—O3^ix	1.959 (12)	O2—Ga2^xxi	4.428 (15)
Ga1—O2^vii	3.476 (18)	O2—O2^xxvii	4.53 (3)
Ga1—O2^vi	3.476 (18)	O2—La^vii	4.478 (14)
Ga1—O2^viii	3.476 (18)	O2—O3^vi	4.56 (2)
Ga1—O2	3.476 (18)	O2—O3^xi	4.49 (2)
Ga1—O2^ix	3.476 (18)	O2—O2^l	4.508 (15)
Ga1—O2^i	3.476 (18)	O2—O2^xxviii	4.508 (15)
Ga2—O1^x	1.761 (19)	O2—O3^viii	4.69 (2)
Ga2—O2^xi	1.854 (15)	O2—Ga2^xxvi	4.742 (18)
Ga2—O2	1.854 (15)	O2—Nb^xiii	4.701 (15)
Ga2—O2^ii	1.854 (15)	O2—Ga1^xiii	4.701 (15)
Ga2—O1^iv	3.262 (19)	O2—Ga3^xxiii	4.802 (16)
Ga2—La^xi	3.374 (2)	O2—O2^i	5.07 (4)
Ga2—La^iv	3.374 (2)	O2—O2^xlviii	5.053 (18)
Ga2—O3^xii	3.399 (12)	O2—O2^iii	5.053 (18)
Ga2—O3^xiii	3.399 (12)	O2—O2^xxi	5.0232
Ga2—O3^xiv	3.399 (12)	O2—O2^xiii	5.0232
Ga2—La^xii	3.513 (2)	O2—O3^xxxvii	5.02 (2)
Ga3—O2^xv	1.810 (15)	O2—Ga3^li	4.96 (2)
Ga3—O2^iii	1.810 (15)	O2—O3^xiv	5.089 (19)
Ga3—O3^xvi	1.817 (12)	O2—O3^iv	5.29 (2)
Ga3—O3^ii	1.817 (12)	O2—O3^ix	5.22 (2)
Ga3—O3^xvii	2.524 (15)	O2—Ga2^vii	5.258 (13)
Ga3—O3^xviii	2.524 (15)	O2—O3^ii	5.28 (2)
Ga3—Nb^xix	3.1231 (13)	O2—O2^vi	5.42 (3)
Ga3—Nb^xx	3.1231 (13)	O2—O2^ix	5.42 (3)
Ga3—O1^iv	3.541 (9)	O2—La^x	5.295 (15)
Ga3—O1^xxi	3.541 (9)	O2—Ga1^lii	5.330 (18)
Ga3—O3^xxii	3.612 (12)	O2—Nb^lii	5.330 (18)
Ga3—O3^xx	3.612 (12)	O2—O2^liii	5.27 (3)
Nb—O3^vi	1.958 (12)	O2—O2^liv	5.27 (3)
Nb—O3^i	1.959 (12)	O2—O3^xxvii	5.410 (19)
Nb—O3	1.959 (12)	O2—O3^iii	5.39 (2)
Nb—O3^vii	1.959 (12)	O2—O3^lv	5.36 (3)
Nb—O3^viii	1.959 (12)	O2—La^xlvi	5.484 (16)
Nb—O3^ix	1.959 (12)	O2—Ga3^xxv	5.619 (19)
Nb—Ga3^xi	3.1231 (13)	O2—O3^xlvi	5.45 (2)
Nb—Ga3^xii	3.1231 (13)	O2—O1^li	5.58 (2)
Nb—Ga3^xxiii	3.1231 (13)	O2—O2^lv	5.74 (2)
Nb—Ga3^xxiv	3.1231 (13)	O2—O2^lvi	5.74 (2)
Nb—Ga3^v	3.1231 (13)	O2—O2^lvii	5.753 (13)
Nb—Ga3^xxv	3.1231 (13)	O2—O2^xv	5.753 (13)
O1—Ga2^xxvi	1.761 (19)	O2—O2^xii	5.753 (13)
O1—La^v	2.502 (6)	O2—O2^xiv	5.753 (13)
O1—La^xviii	2.502 (6)	O2—O3^xxxix	5.97 (2)
O1—O2^i	2.86 (2)	O2—La^xlvii	5.854 (17)
O1—O2^iii	2.86 (2)	O2—O3^lviii	6.007 (19)
O1—O2^v	2.86 (2)	O2—La^v	6.12 (2)
O1—O3^i	3.113 (13)	O2—O2^lix	6.05 (3)
O1—O3^v	3.113 (13)	O2—O2^lx	6.05 (3)
O1—O3^iii	3.113 (13)	O2—O3^l	6.08 (2)
O1—O2^xxvii	3.12 (2)	O3—Ga3^xi	1.817 (12)
O1—O2^xxviii	3.12 (2)	O3—Ga3^xxv	2.524 (15)
O1—O2^xxvi	3.12 (2)	O3—O2^i	2.69 (3)
O1—Ga2^v	3.262 (19)	O3—O3^i	2.58 (2)
O1—Ga3^v	3.541 (9)	O3—O3^xxxix	2.80 (3)
O1—Ga3^xiii	3.541 (9)	O3—O3^vi	2.68 (2)
O1—Ga3^xxix	3.541 (9)	O3—O3^ix	2.68 (2)
O1—O2^ix	3.556 (16)	O3—O2^vii	2.77 (2)
O1—O2^ii	3.556 (16)	O3—O2^xxi	2.928 (17)
O1—O2^xxx	3.556 (16)	O3—O1^iv	3.113 (13)
O1—O3	4.258 (15)	O3—O3^vii	3.17 (3)
O1—O3^xxxi	4.258 (15)	O3—Ga2^xxi	3.399 (12)
O1—O3^xviii	4.258 (15)	O3—O3^lviii	3.35 (2)
O1—Ga3^xxv	4.586 (13)	O3—Ga3^xxiv	3.612 (12)
O1—Ga3^xviii	4.586 (13)	O3—La^xi	3.705 (15)
O1—O2	4.66 (2)	O3—Ga2^v	3.929 (15)
O1—O2^xxxi	4.66 (2)	O3—O2^iii	3.86 (2)
O1—O2^xviii	4.66 (2)	O3—O3^viii	3.86 (2)
O1—Ga1^xx	4.669 (3)	O3—O3^lxi	4.01 (3)
O1—Nb^xx	4.669 (3)	O3—Ga3^xii	3.916 (14)
O1—Ga1^xxx	4.669 (3)	O3—Nb^xxi	4.127 (13)
O1—Nb^xxx	4.669 (3)	O3—Ga1^xxi	4.127 (13)
O1—O3^xiii	4.78 (2)	O3—O2^xl	4.33 (2)
O1—O3^xxxii	4.78 (2)	O3—La^xxi	4.333 (13)
O1—O3^xxix	4.78 (2)	O3—Ga3^v	4.290 (12)
O1—La^xiii	4.796 (16)	O3—O2^xv	4.26 (2)
O1—La^xxvi	4.796 (16)	O3—La^vii	4.242 (14)
O1—La^xxix	4.796 (16)	O3—O2^ix	4.56 (2)
O1—Ga2^xxxiii	4.853 (6)	O3—O2^ii	4.49 (2)
O1—Ga2^xxx	4.853 (6)	O3—La^v	4.601 (14)
O1—O1^iv	4.893 (12)	O3—Ga2^vii	4.537 (14)
O1—O1^v	4.893 (12)	O3—O2^viii	4.69 (2)
O1—O1^xxxiv	4.893 (12)	O3—O1^xxi	4.78 (2)
O1—O3^ix	4.824 (18)	O3—La^ix	4.868 (13)
O1—O3^ii	4.824 (18)	O3—O1^xlvii	4.824 (18)
O1—O3^xxx	4.824 (18)	O3—O3^xxi	5.0232
O1—O1^xiii	5.0232	O3—O3^xiii	5.0232
O1—O1^xxi	5.0232	O3—O2^lxii	5.02 (2)
O1—Ga3^xii	5.225 (6)	O3—Ga3^xxiii	5.008 (12)
O1—Ga3^xxxv	5.225 (6)	O3—O2^lvii	5.089 (19)
O1—Ga3^xxxiv	5.225 (6)	O3—O2^v	5.29 (2)
O1—O3^viii	5.291 (15)	O3—La^lvii	5.189 (12)
O1—O3^iv	5.291 (15)	O3—O2^vi	5.22 (2)
O1—O3^xxxvi	5.291 (15)	O3—O1^v	5.291 (15)
O1—O3^xxxvii	5.289 (16)	O3—Ga2^xxvi	5.332 (12)
O1—O3^xiv	5.289 (16)	O3—O2^xi	5.28 (2)
O1—O3^xxxviii	5.289 (16)	O3—O1^lxiii	5.289 (16)
O1—O3^xxxix	5.602 (19)	O3—O3^xi	5.36 (2)
O1—O3^xxv	5.602 (19)	O3—O3^ii	5.36 (2)
O1—O3^xvi	5.602 (19)	O3—Ga2^xliii	5.464 (15)
O1—O2^xl	5.58 (2)	O3—O2^xxvii	5.410 (19)
O1—O2^xv	5.58 (2)	O3—O2^xlviii	5.39 (2)
O1—O2^xli	5.58 (2)	O3—La^iv	5.507 (12)
O1—O1^x	5.67 (2)	O3—O2^lvi	5.36 (3)
O1—O1^xxvi	5.67 (2)	O3—O2^xlvi	5.45 (2)
O1—O1^xlii	5.67 (2)	O3—O1^xvii	5.602 (19)
O1—Ga2^xxi	5.745 (11)	O3—La^lviii	5.585 (12)
O1—Ga2^xliii	5.745 (11)	O3—O3^lxii	5.695 (10)
O1—Ga2^xli	5.745 (11)	O3—O3^xlix	5.695 (10)
O1—La^ix	5.807 (3)	O3—O3^xl	5.695 (10)
O1—La^iv	5.807 (3)	O3—O3^xxxvii	5.695 (10)
O1—La^xxx	5.807 (3)	O3—La^xxv	5.862 (16)
O1—O3^vii	5.756 (12)	O3—O2^xxxix	5.97 (2)
O1—O3^xliv	5.756 (12)	O3—O1^vii	5.756 (12)
O1—O3^xlv	5.756 (12)	O3—La^xviii	6.004 (13)
O1—O2^xxxiii	6.170 (16)	O3—O2^lviii	6.007 (19)
O2—Ga3^xii	1.810 (15)	O3—La^xl	6.074 (14)
O2—La^xi	2.405 (15)	O3—O3^iii	6.035 (19)
O2—O3^i	2.69 (3)	O3—O3^xlviii	6.035 (19)
O2—O3^vii	2.77 (2)	O3—O3^xvi	6.131 (18)
O2—O1^iv	2.86 (2)	O3—O3^lxiv	6.131 (18)
O2—O2^xi	2.81 (3)	O3—O2^xxviii	6.08 (2)
O2—O2^ii	2.81 (3)	O3—La^xxiv	6.111 (12)

Symmetry codes: (i) x−y, −y, −z; (ii) −y−1, x−y, z; (iii) −x−1, −x+y, −z; (iv) y−1, x, −z; (v) y, x+1, −z; (vi) −y, x−y, z; (vii) y, x, −z; (viii) −x, −x+y, −z; (ix) −x+y, −x, z; (x) y−1, x, −z+1; (xi) −x+y−1, −x−1, z; (xii) −x+y−1, −x−1, z+1; (xiii) x, y, z+1; (xiv) −y−1, x−y, z+1; (xv) −y−1, x−y, z−1; (xvi) −x−1, −x+y, −z−1; (xvii) y−1, x, −z−1; (xviii) −x+y−1, −x, z; (xix) x−1, y, z−1; (xx) x−1, y, z; (xxi) x, y, z−1; (xxii) x−y−1, −y, −z−1; (xxiii) x+1, y, z+1; (xxiv) x+1, y, z; (xxv) y, x+1, −z−1; (xxvi) y, x+1, −z+1; (xxvii) x−y, −y, −z+1; (xxviii) −x−1, −x+y, −z+1; (xxix) −x+y−1, −x, z+1; (xxx) x, y+1, z; (xxxi) −y, x−y+1, z; (xxxii) −y, x−y+1, z+1; (xxxiii) x+1, y+1, z; (xxxiv) y−1, x+1, −z; (xxxv) x+1, y+1, z+1; (xxxvi) x−y, −y+1, −z; (xxxvii) −x+y, −x, z+1; (xxxviii) x, y+1, z+1; (xxxix) x−y, −y, −z−1; (xl) −x+y, −x, z−1; (xli) x, y+1, z−1; (xlii) y−1, x+1, −z+1; (xliii) x+1, y+1, z−1; (xliv) −x, −x+y+1, −z; (xlv) x−y−1, −y, −z; (xlvi) y, x, −z+1; (xlvii) x, y−1, z; (xlviii) −x−1, −x+y−1, −z; (xlix) −y, x−y, z+1; (l) −x−1, −x+y−1, −z+1; (li) x, y−1, z+1; (lii) x−1, y−1, z; (liii) x−y−1, −y−1, −z+1; (liv) x−y, −y−1, −z+1; (lv) x−y−1, −y−1, −z; (lvi) x−y, −y−1, −z; (lvii) −x+y−1, −x−1, z−1; (lviii) y, x, −z−1; (lix) −y−1, x−y−1, z; (lx) −x+y, −x−1, z; (lxi) −x, −x+y, −z−1; (lxii) −y, x−y, z−1; (lxiii) x, y−1, z−1; (lxiv) −x−1, −x+y−1, −z−1.

(13.1d3split)

Crystal data

Ga5.50La3Nb0.50O14	V = 275.1 Å^3
Mr = 1070.65	Z = 1
?, ?	F(000) = 474
a = 7.953 Å	Dx = 6.462 Mg m^−3
b = 7.953 Å	Ag Kα radiation, λ = 0.56000 Å
c = 5.023 Å	µ = 14.67 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.000
Graphite monochromator	θmax = 22.9°, θmin = 3.2°
473 measured reflections	h = −9→9
473 independent reflections	k = −5→5
469 reflections with I > 2σ(I)	l = −6→6

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.040	(Δ/σ)max < 0.001
wR(F^2) = 0.119	Δρmax = 1.90 e Å^−3
S = 0.97	Δρmin = −1.72 e Å^−3
473 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
38 parameters	Extinction coefficient: 0.021 (6)
0 restraints	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.02 (10)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La	−0.43422 (13)	0.0000	0.0000	0.0196 (4)
Ga1	0.0000	0.0000	0.0000	0.0225 (7)	0.50
Ga2	−0.6667	−0.3333	0.4812 (5)	0.0178 (5)
Ga3	−0.7667 (3)	0.0000	−0.5000	0.0180 (4)
Nb	0.0000	0.0000	0.0000	0.0225 (7)	0.50
O1	−0.3333	0.3333	0.165 (3)	0.017 (3)*
O2	−0.444 (2)	−0.287 (2)	0.292 (3)	0.023 (4)*	0.72 (4)
O3	−0.213 (2)	−0.050 (4)	−0.259 (4)	0.019 (5)*	0.63 (8)
O21	−0.613 (5)	−0.099 (5)	0.394 (7)	0.024 (10)*	0.28 (4)
O31	−0.112 (6)	−0.234 (3)	0.203 (7)	0.015 (8)*	0.37 (8)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La	0.0230 (5)	0.0113 (5)	0.0204 (6)	0.0057 (2)	−0.00089 (18)	−0.0018 (4)
Ga1	0.0270 (9)	0.0270 (9)	0.0137 (13)	0.0135 (5)	0.000	0.000
Ga2	0.0179 (7)	0.0179 (7)	0.0176 (11)	0.0090 (3)	0.000	0.000
Ga3	0.0171 (6)	0.0203 (9)	0.0176 (8)	0.0102 (4)	0.0033 (3)	0.0065 (7)
Nb	0.0270 (9)	0.0270 (9)	0.0137 (13)	0.0135 (5)	0.000	0.000

Bond lengths (Å)

La—O21	2.33 (4)	O3—O3^i	2.69 (3)
La—O21^i	2.33 (4)	O3—O31^i	2.51 (3)
La—O31^ii	2.40 (3)	O3—O2^i	2.49 (3)
La—O31^iii	2.40 (3)	O3—O3^iii	2.66 (2)
La—O3^i	2.375 (15)	O3—O3^viii	2.66 (2)
La—O3	2.375 (15)	O3—O2^ii	2.89 (3)
La—O2^iv	2.420 (13)	O3—O3^li	2.52 (5)
La—O2^v	2.420 (13)	O3—O31	3.06 (6)
La—O1	2.497 (6)	O3—O2^xvi	2.926 (18)
La—O1^vi	2.497 (6)	O3—O21^xliv	3.02 (4)
La—O2	2.679 (15)	O3—O21^xl	3.10 (4)
La—O2^i	2.679 (15)	O3—O31^vii	2.93 (3)
Ga1—O3^ii	2.012 (17)	O3—O1^vi	3.191 (18)
Ga1—O3	2.012 (17)	O3—O3^ii	3.44 (5)
Ga1—O3^vii	2.012 (17)	O3—O21^i	3.23 (4)
Ga1—O3^iii	2.012 (17)	O3—O31^lii	2.93 (6)
Ga1—O3^viii	2.012 (17)	O3—O3^liii	3.30 (3)
Ga1—O3^i	2.012 (17)	O3—Ga2^xvi	3.416 (14)
Ga1—O31^vii	1.91 (2)	O3—O21^xvi	3.47 (4)
Ga1—O31^ii	1.91 (2)	O3—O21^xxii	3.19 (5)
Ga1—O31^viii	1.91 (2)	O3—O31^xvi	3.36 (3)
Ga1—O31	1.91 (2)	O3—Ga3^liv	3.580 (15)
Ga1—O31^i	1.91 (2)	O3—La^x	3.86 (3)
Ga1—O31^iii	1.91 (2)	O3—O2^v	3.83 (3)
Ga2—O1^ix	1.776 (17)	O3—O3^vii	3.92 (3)
Ga2—O21^x	1.74 (4)	O3—O31^viii	3.88 (2)
Ga2—O21^iv	1.74 (4)	O3—Ga3^xxxvi	4.06 (2)
Ga2—O21	1.74 (4)	O3—Ga2^xxii	3.79 (3)
Ga2—O2^iv	1.876 (13)	O3—O3^lv	3.81 (4)
Ga2—O2^x	1.876 (13)	O3—O21^x	4.10 (5)
Ga2—O2	1.876 (13)	O3—Nb^xvi	4.027 (19)
Ga2—O21^xi	3.09 (4)	O3—Ga1^xvi	4.027 (19)
Ga2—O21^ix	3.09 (4)	O3—O21^xxxii	4.10 (4)
Ga2—O21^xii	3.09 (4)	O3—La^ii	4.37 (3)
Ga2—O1^vi	3.247 (17)	O3—O2^xv	4.27 (2)
Ga2—O31^xiii	3.37 (2)	O3—Ga3^xxii	4.319 (15)
Ga3—O3^iv	1.840 (18)	O3—La^xvi	4.22 (2)
Ga3—O3^xiv	1.840 (18)	O3—O2^lii	4.20 (3)
Ga3—O2^v	1.837 (14)	O3—O21	4.45 (4)
Ga3—O2^xv	1.837 (14)	O3—O31^lvi	4.12 (5)
Ga3—O21^xvi	1.83 (3)	O3—O2^iv	4.56 (2)
Ga3—O21^i	1.83 (3)	O3—Ga2^ii	4.64 (3)
Ga3—O31^v	1.78 (3)	O3—O2^iii	4.49 (2)
Ga3—O31^xv	1.78 (3)	O3—La^xxii	4.50 (2)
Ga3—O3^xvii	2.37 (3)	O3—O2^vii	4.63 (2)
Ga3—O3^xviii	2.37 (3)	O3—O31^liii	4.76 (3)
Ga3—O31^xix	2.85 (5)	O3—O1^xvi	4.64 (3)
Ga3—O31^xx	2.85 (5)	O3—O1^xxxix	4.98 (3)
Nb—O3^ii	2.012 (17)	O3—La^iii	4.816 (16)
Nb—O3	2.012 (17)	O3—O21^ii	5.04 (4)
Nb—O3^vii	2.012 (17)	O3—O31^v	5.11 (3)
Nb—O3^iii	2.012 (17)	O3—Ga3^xlv	5.087 (19)
Nb—O3^viii	2.012 (17)	O3—O3^xxvi	5.0232
Nb—O3^i	2.012 (17)	O3—O3^xvi	5.0232
Nb—O31^vii	1.91 (2)	O3—O21^xxv	4.95 (4)
Nb—O31^ii	1.91 (2)	O3—O2^lvi	5.00 (2)
Nb—O31^viii	1.91 (2)	O3—O2^xliv	5.12 (2)
Nb—O31	1.91 (2)	O3—O21^xi	5.29 (4)
Nb—O31^i	1.91 (2)	O3—O21^xv	5.14 (4)
Nb—O31^iii	1.91 (2)	O3—La^xliv	5.201 (16)
O1—Ga2^xxi	1.776 (17)	O3—O21^lvii	5.12 (4)
O1—La^xxii	2.497 (6)	O3—O21^xii	5.37 (4)
O1—La^xvii	2.497 (6)	O3—O2^viii	5.25 (3)
O1—O21^xii	2.79 (4)	O3—O2^x	5.36 (3)
O1—O21^xxi	2.79 (4)	O3—O2^xxii	5.14 (3)
O1—O21^xxiii	2.79 (4)	O3—O1^lviii	5.35 (2)
O1—O31^iii	2.98 (2)	O3—O1^xxii	5.18 (2)
O1—O31^iv	2.98 (2)	O3—O31^xlii	5.51 (3)
O1—O31^xxiv	2.98 (2)	O3—Ga2^xxi	5.327 (16)
O1—O2^i	2.81 (2)	O21—O2^iv	0.86 (4)
O1—O2^v	2.81 (2)	O21—O21^xii	1.74 (7)
O1—O2^xxii	2.81 (2)	O21—Ga3^xxvi	1.83 (3)
O1—O2^xii	3.17 (2)	O21—O2^xxiii	2.44 (4)
O1—O2^xxiii	3.17 (2)	O21—O31^iv	2.77 (5)
O1—O2^xxi	3.17 (2)	O21—O1^ix	2.79 (4)
O1—O3^i	3.191 (18)	O21—O31^xxiii	2.92 (4)
O1—O3^v	3.191 (18)	O21—Ga2^xxi	3.09 (4)
O1—O3^xxii	3.191 (18)	O21—O3^l	3.02 (4)
O1—O21	3.23 (4)	O21—O3^v	3.10 (4)
O1—O21^xxv	3.23 (4)	O21—O21^iv	2.92 (6)
O1—O21^xvii	3.23 (4)	O21—O21^x	2.92 (6)
O1—Ga2^xxii	3.247 (17)	O21—La^xxvi	3.29 (4)
O1—O21^i	3.28 (4)	O21—O3^i	3.23 (4)
O1—O21^xxii	3.28 (4)	O21—O2^x	3.19 (4)
O1—O21^v	3.28 (4)	O21—O1^vi	3.28 (4)
O1—Ga3^xxii	3.549 (8)	O21—O3^xxvi	3.47 (4)
O1—Ga3^xxvi	3.549 (8)	O21—O3^vi	3.19 (5)
O1—Ga3^xxvii	3.549 (8)	O21—O31^iii	3.52 (5)
O1—O2^iv	3.601 (14)	O21—O31^v	3.66 (6)
O1—O2^xxiv	3.601 (14)	O21—O2^xii	3.73 (4)
O1—O2^iii	3.601 (14)	O21—O31^xxxviii	3.67 (5)
O1—O3^xvii	4.20 (2)	O21—La^vi	3.50 (4)
O1—O3	4.20 (2)	O21—Ga3^xxxvi	3.71 (3)
O1—O3^xxv	4.20 (2)	O21—O2^v	3.91 (4)
O1—O31^i	4.48 (5)	O21—O31^xxx	3.68 (6)
O1—O31^v	4.48 (5)	O21—O3^iv	4.10 (5)
O1—O31^xxii	4.48 (5)	O21—O21^ix	4.12 (2)
O1—O31^ii	4.40 (3)	O21—O21^xxi	4.12 (2)
O1—O31^xx	4.40 (3)	O21—O31^ii	4.28 (5)
O1—O31^xxviii	4.40 (3)	O21—Nb^xxx	4.05 (4)
O1—Ga3^xxix	4.575 (12)	O21—Ga1^xxx	4.05 (4)
O1—Ga3^xvii	4.576 (12)	O21—Ga3^xxii	4.26 (4)
O1—O2^xvii	4.600 (15)	O21—La^ix	4.20 (4)
O1—O2	4.600 (15)	O21—O3^xxvii	4.10 (4)
O1—O2^xxv	4.600 (15)	O21—O21^i	4.19 (7)
O1—Nb^xxx	4.666 (3)	O21—O21^xi	4.40 (3)
O1—Ga1^xxx	4.666 (3)	O21—O21^xxiii	4.40 (3)
O1—Nb^xxiv	4.666 (3)	O21—La^x	4.38 (3)
O1—Ga1^xxiv	4.666 (3)	O21—La^xvii	4.52 (4)
O1—O3^xxvii	4.64 (3)	O21—O31^l	4.82 (6)
O1—O3^xxxi	4.64 (3)	O21—O2^l	4.56 (4)
O1—O3^xxvi	4.64 (3)	O21—Ga3^lix	4.53 (4)
O1—La^xxvi	4.809 (14)	O21—O2^xxi	4.78 (4)
O1—La^xxi	4.809 (14)	O21—O31	4.72 (5)
O1—La^xxvii	4.809 (14)	O21—Nb^lx	4.67 (3)
O1—O21^xvi	4.91 (4)	O21—Ga1^lx	4.67 (3)
O1—O21^xxxii	4.91 (4)	O21—Ga3^vi	4.65 (4)
O1—O21^xxxiii	4.91 (4)	O21—O1^xxvi	4.91 (4)
O1—O3^iv	4.98 (3)	O21—O31^lxi	4.60 (6)
O1—O3^xxiv	4.98 (3)	O21—O2^xxxviii	4.89 (4)
O1—O3^iii	4.98 (3)	O21—O2^i	4.83 (4)
O1—Ga2^xxiv	4.858 (5)	O21—O3^ii	5.04 (4)
O1—Ga2^xxxiv	4.858 (5)	O21—O2^xiii	4.89 (4)
O1—O1^xxxv	4.882 (11)	O21—La^xxxvi	4.96 (4)
O1—O1^vi	4.882 (11)	O21—Ga2^xvi	4.88 (4)
O1—O1^xxii	4.882 (11)	O21—La^xxvii	5.08 (4)
O1—O1^xvi	5.0232	O21—Ga3^xxxv	4.99 (3)
O1—O1^xxvi	5.0232	O21—O31^xiii	5.05 (4)
O1—O31^xii	5.17 (3)	O21—O21^xxvi	5.0232
O1—O31^xxiii	5.17 (3)	O21—O21^xvi	5.0232
O1—O31^xxi	5.17 (3)	O21—O2^ix	4.90 (4)
O1—Ga3^xxxvi	5.230 (5)	O21—O3^xvii	4.95 (4)
O1—Ga3^xxxvii	5.230 (5)	O21—O21^xxv	5.24 (6)
O1—Ga3^xxxv	5.230 (5)	O21—O21^xvii	5.24 (6)
O1—O31^xxxviii	5.10 (5)	O21—O31^xlix	5.29 (5)
O2—O21^x	0.86 (4)	O21—O3^xxiii	5.29 (4)
O2—Ga3^xxxvi	1.837 (14)	O21—O2^xxvi	5.14 (4)
O2—O21^xi	2.44 (4)	O21—O3^xxxvi	5.14 (4)
O2—La^x	2.420 (13)	O21—O3^xx	5.12 (4)
O2—O31	2.50 (4)	O21—O3^xii	5.37 (4)
O2—O21	2.51 (3)	O21—O31^xx	5.10 (4)
O2—O3^i	2.49 (3)	O31—O3^ii	0.52 (3)
O2—O31^ii	2.93 (4)	O31—Ga3^xxxvi	1.78 (3)
O2—O2^x	2.80 (2)	O31—La^ii	2.40 (3)
O2—O2^iv	2.80 (2)	O31—O31^ii	2.65 (8)
O2—O3^ii	2.89 (3)	O31—O3^viii	2.57 (3)
O2—O1^vi	2.81 (2)	O31—O31^vii	2.55 (5)
O2—O2^xxxviii	3.01 (3)	O31—O3^i	2.51 (3)
O2—O3^xxvi	2.926 (18)	O31—O21^x	2.77 (5)
O2—O31^xxxviii	2.97 (3)	O31—O2^ii	2.93 (4)
O2—O1^ix	3.17 (2)	O31—O1^xxxix	2.98 (2)
O2—O31^iii	2.95 (5)	O31—O21^xi	2.92 (4)
O2—O3	3.33 (3)	O31—O2^xxxviii	2.97 (3)
O2—O21^iv	3.19 (4)	O31—O31^iii	2.80 (4)
O2—O1^xxxix	3.601 (14)	O31—O31^viii	2.80 (4)
O2—O21^xii	3.73 (4)	O31—O3^vii	2.93 (3)
O2—Ga2^xxxviii	3.723 (14)	O31—Ga3^xlv	2.85 (5)
O2—O2^ii	3.64 (3)	O31—La^x	3.39 (4)
O2—O3^xl	3.83 (3)	O31—O2^viii	2.95 (5)
O2—O21^xl	3.91 (4)	O31—O3^xliii	2.93 (6)
O2—La^xxxvi	4.046 (15)	O31—Ga2^xxxviii	3.37 (2)
O2—Ga3^xxii	4.009 (14)	O31—Ga3^x	3.66 (4)
O2—O31^xli	4.10 (4)	O31—O21^viii	3.52 (5)
O2—La^xxvi	4.206 (13)	O31—O21^xl	3.66 (6)
O2—La^vi	4.229 (13)	O31—O3^xxvi	3.36 (3)
O2—Ga3^vi	4.281 (15)	O31—O21^xxxviii	3.67 (5)
O2—O31^xlii	4.41 (3)	O31—O31^xxxviii	3.43 (6)
O2—O3^xxxvi	4.27 (2)	O31—O31^xlvii	3.36 (9)
O2—Ga3^x	4.254 (14)	O31—Ga3^xxii	3.68 (3)
O2—Ga3^xxvi	4.328 (13)	O31—O3^iii	3.88 (2)
O2—O3^xliii	4.20 (3)	O31—O31^i	3.82 (4)
O2—O31^xiii	4.44 (3)	O31—O21^liv	3.68 (6)
O2—Ga2^xvi	4.380 (14)	O31—O2^lxii	4.10 (4)
O2—O3^x	4.56 (2)	O31—O21^ii	4.28 (5)
O2—La^ii	4.487 (13)	O31—O2^lxiii	4.41 (3)
O2—O2^xi	4.559 (14)	O31—Ga3^liv	4.28 (3)
O2—O2^xxiii	4.559 (14)	O31—O1^vi	4.48 (5)
O2—O2^xii	4.47 (3)	O31—Ga2^ii	4.55 (4)
O2—O21^xliv	4.56 (4)	O31—Ga2^liv	4.23 (4)
O2—O3^viii	4.49 (2)	O31—O2^xlvi	4.44 (3)
O2—O21^ix	4.78 (4)	O31—O1^ii	4.40 (3)
O2—O3^vii	4.63 (2)	O31—O3^xlix	4.12 (5)
O2—Ga1^xxvi	4.720 (14)	O31—Nb^xxvi	4.32 (4)
O2—Nb^xxvi	4.720 (14)	O31—Ga1^xxvi	4.32 (4)
O2—Ga2^xxi	4.697 (14)	O31—O21^xliv	4.82 (6)
O2—O31^v	5.00 (4)	O31—La^xxxviii	4.56 (4)
O2—O31^vii	4.65 (3)	O31—O3^liii	4.76 (3)
O2—Ga3^xlv	4.799 (13)	O31—O2^xl	5.00 (4)
O2—O21^xxxviii	4.89 (4)	O31—O2^vii	4.65 (3)
O2—O21^i	4.83 (4)	O31—O21^lxiv	4.60 (6)
O2—O31^iv	5.07 (4)	O31—O31^xii	4.40 (7)
O2—O21^xlvi	4.89 (4)	O31—Ga3^xxix	4.88 (3)
O2—O31^viii	4.73 (3)	O31—O31^xli	5.16 (4)
O2—O31^xxiii	5.02 (3)	O31—O31^lxii	5.16 (4)
O2—O31^xlvii	4.68 (5)	O31—O3^xl	5.11 (3)
O2—O31^xxvi	5.20 (5)	O31—O2^x	5.07 (4)
O2—Ga3^xlviii	5.029 (15)	O31—O2^iii	4.73 (3)
O2—O31^x	5.14 (4)	O31—O2^xi	5.02 (3)
O2—O2^xvi	5.0232	O31—O2^xlvii	4.68 (5)
O2—O2^xxvi	5.0232	O31—O2^xvi	5.20 (5)
O2—O21^xxi	4.90 (4)	O31—Ga3^ii	4.97 (3)
O2—O2^xl	4.999 (17)	O31—La^liv	4.85 (4)
O2—O2^v	4.999 (17)	O31—O2^iv	5.14 (4)
O2—O3^xlix	5.00 (2)	O31—O21^xlvi	5.05 (4)
O2—O31^i	5.00 (3)	O31—O31^xxvi	5.0232
O2—O2^i	4.92 (3)	O31—O31^xvi	5.0232
O2—O3^l	5.12 (2)	O31—O2^i	5.00 (3)
O2—O21^xvi	5.14 (4)	O31—O21^lvi	5.29 (5)
O2—O31^xii	5.03 (3)	O31—O1^ix	5.17 (3)
O2—O3^iii	5.25 (3)	O31—La^xxxvi	5.15 (3)
O3—O31^ii	0.52 (3)	O31—La^iii	5.01 (3)
O3—Ga3^x	1.840 (18)	O31—O2^xii	5.03 (3)
O3—O31^iii	2.57 (3)	O31—O21^lvii	5.10 (4)
O3—Ga3^xxix	2.37 (3)	O31—La^xxxix	5.39 (2)

Symmetry codes: (i) x−y, −y, −z; (ii) y, x, −z; (iii) −x+y, −x, z; (iv) −y−1, x−y, z; (v) −x−1, −x+y, −z; (vi) y−1, x, −z; (vii) −x, −x+y, −z; (viii) −y, x−y, z; (ix) y−1, x, −z+1; (x) −x+y−1, −x−1, z; (xi) −x−1, −x+y−1, −z+1; (xii) x−y, −y, −z+1; (xiii) x−y−1, −y−1, −z+1; (xiv) −x−1, −x+y, −z−1; (xv) −y−1, x−y, z−1; (xvi) x, y, z−1; (xvii) −x+y−1, −x, z; (xviii) y−1, x, −z−1; (xix) x−1, y, z−1; (xx) x−y−1, −y, −z; (xxi) y, x+1, −z+1; (xxii) y, x+1, −z; (xxiii) −x−1, −x+y, −z+1; (xxiv) x, y+1, z; (xxv) −y, x−y+1, z; (xxvi) x, y, z+1; (xxvii) −x+y−1, −x, z+1; (xxviii) −x, −x+y+1, −z; (xxix) y, x+1, −z−1; (xxx) x−1, y, z; (xxxi) −y, x−y+1, z+1; (xxxii) −y, x−y+1, z−1; (xxxiii) −x+y−1, −x, z−1; (xxxiv) x+1, y+1, z; (xxxv) y−1, x+1, −z; (xxxvi) −x+y−1, −x−1, z+1; (xxxvii) x+1, y+1, z+1; (xxxviii) y, x, −z+1; (xxxix) x, y−1, z; (xl) −x−1, −x+y−1, −z; (xli) −y−1, x−y−1, z; (xlii) x−y−1, −y−1, −z; (xliii) −y, x−y, z+1; (xliv) −x+y−1, −x−1, z−1; (xlv) x+1, y, z+1; (xlvi) x−y, −y−1, −z+1; (xlvii) −x, −x+y, −z+1; (xlviii) x, y−1, z+1; (xlix) −x+y, −x, z+1; (l) −y−1, x−y, z+1; (li) x−y, −y, −z−1; (lii) −x+y, −x, z−1; (liii) y, x, −z−1; (liv) x+1, y, z; (lv) −x, −x+y, −z−1; (lvi) −y, x−y, z−1; (lvii) x−y+1, −y, −z; (lviii) x, y−1, z−1; (lix) −x+y−2, −x−1, z+1; (lx) x−1, y, z+1; (lxi) x−y−1, −y, −z+1; (lxii) −x+y, −x−1, z; (lxiii) x−y, −y−1, −z; (lxiv) x−y+1, −y, −z+1.

(14.4d3)

Crystal data

Ga5.54La3O14Ta0.46	V = 273.9 Å^3
Mr = 1110.22	Z = 1
?, ?	F(000) = 488
a = 7.944 Å	Dx = 6.731 Mg m^−3
b = 7.944 Å	Ag Kα radiation, λ = 0.56000 Å
c = 5.012 Å	µ = 15.56 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.000
Graphite monochromator	θmax = 22.9°, θmin = 4.0°
450 measured reflections	h = −10→10
450 independent reflections	k = −7→7
450 reflections with I > 2σ(I)	l = −6→6

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.049	(Δ/σ)max = 0.007
wR(F^2) = 0.153	Δρmax = 2.47 e Å^−3
S = 1.29	Δρmin = −1.81 e Å^−3
450 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
39 parameters	Extinction coefficient: 0.025 (9)
0 restraints	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.23 (14)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La	0.4362 (2)	0.0000	0.0000	0.0215 (5)
Ga1	0.0000	0.0000	0.0000	0.0273 (7)	0.50
Ta	0.0000	0.0000	0.0000	0.0273 (7)	0.50
Ga2	0.6667	0.3333	−0.5190 (6)	0.0183 (7)
Ga3	0.0000	−0.2340 (3)	−0.5000	0.0200 (6)
O1	0.6667	0.3333	−0.163 (4)	0.019 (3)
O2	0.166 (4)	−0.277 (5)	−0.302 (4)	0.070 (8)
O3	0.220 (3)	0.071 (3)	−0.235 (3)	0.052 (6)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La	0.0285 (7)	0.0132 (6)	0.0177 (8)	0.0066 (3)	0.0018 (3)	0.0036 (5)
Ga1	0.0344 (9)	0.0344 (9)	0.0132 (13)	0.0172 (5)	0.000	0.000
Ta	0.0344 (9)	0.0344 (9)	0.0132 (13)	0.0172 (5)	0.000	0.000
Ga2	0.0175 (8)	0.0175 (8)	0.0197 (16)	0.0088 (4)	0.000	0.000
Ga3	0.0220 (12)	0.0200 (9)	0.0187 (13)	0.0110 (6)	0.0085 (9)	0.0042 (5)
O1	0.021 (5)	0.021 (5)	0.016 (9)	0.010 (2)	0.000	0.000
O2	0.09 (2)	0.10 (2)	0.036 (12)	0.068 (17)	0.027 (10)	0.015 (12)
O3	0.057 (11)	0.109 (19)	0.020 (10)	0.063 (11)	0.020 (7)	0.043 (9)

Geometric parameters (Å, º)

La—O3	2.368 (15)	Ta—Ga3^xi	3.1199 (16)
La—O3^i	2.368 (15)	Ta—Ga3^vii	3.1199 (16)
La—O2^ii	2.49 (3)	Ta—Ga3^xii	3.1199 (16)
La—O2^iii	2.49 (3)	Ta—Ga3^viii	3.1199 (16)
La—O1	2.486 (6)	Ta—Ga3	3.1199 (16)
La—O1^iv	2.486 (6)	Ta—Ga3^v	3.1199 (16)
La—O2^i	2.65 (3)	Ga2—O1	1.79 (2)
La—O2	2.65 (3)	Ga2—O2^xiii	1.836 (18)
La—Ga2^v	3.365 (2)	Ga2—O2^xiv	1.836 (18)
La—Ga2^vi	3.365 (2)	Ga2—O2^xv	1.836 (18)
La—Ta	3.4652 (16)	Ga2—La^xvi	3.365 (2)
La—Ga1	3.4652 (16)	Ga2—La^xv	3.365 (2)
Ga1—O3^vii	1.945 (14)	Ga2—La^xvii	3.365 (2)
Ga1—O3^viii	1.945 (14)	Ga2—La^xviii	3.505 (2)
Ga1—O3^ix	1.945 (14)	Ga2—La^iii	3.505 (2)
Ga1—O3	1.945 (14)	Ga3—O3^xiii	1.820 (13)
Ga1—O3^x	1.945 (14)	Ga3—O3^ix	1.820 (13)
Ga1—O3^i	1.945 (14)	Ga3—O2	1.81 (2)
Ga1—La^viii	3.4651 (16)	Ga3—O2^xix	1.81 (2)
Ga1—La^ix	3.4652 (16)	Ga3—Ta^xvii	3.1199 (16)
Ta—O3^vii	1.945 (14)	O1—La^xviii	2.486 (6)
Ta—O3^viii	1.945 (14)	O1—La^iii	2.486 (6)
Ta—O3^ix	1.945 (14)	O2—Ga2^vi	1.836 (18)
Ta—O3	1.945 (14)	O2—La^iv	2.49 (3)
Ta—O3^x	1.945 (14)	O3—Ga3^vii	1.820 (13)
Ta—O3^i	1.945 (14)
O3—La—O3^i	65.1 (6)	O3^vii—Ta—Ga3^vii	54.4 (7)
O3—La—O2^ii	109.9 (7)	O3^viii—Ta—Ga3^vii	97.6 (6)
O3^i—La—O2^ii	139.0 (8)	O3^ix—Ta—Ga3^vii	87.9 (4)
O3—La—O2^iii	139.0 (8)	O3—Ta—Ga3^vii	32.8 (4)
O3^i—La—O2^iii	109.9 (7)	O3^x—Ta—Ga3^vii	159.4 (6)
O2^ii—La—O2^iii	99.0 (9)	O3^i—Ta—Ga3^vii	113.0 (4)
O3—La—O1	79.6 (5)	Ga3^xi—Ta—Ga3^vii	62.11 (6)
O3^i—La—O1	121.7 (6)	O3^vii—Ta—Ga3^xii	113.0 (4)
O2^ii—La—O1	95.2 (6)	O3^viii—Ta—Ga3^xii	32.8 (4)
O2^iii—La—O1	69.2 (6)	O3^ix—Ta—Ga3^xii	159.4 (6)
O3—La—O1^iv	121.7 (6)	O3—Ta—Ga3^xii	97.6 (6)
O3^i—La—O1^iv	79.6 (5)	O3^x—Ta—Ga3^xii	87.9 (4)
O2^ii—La—O1^iv	69.2 (6)	O3^i—Ta—Ga3^xii	54.4 (7)
O2^iii—La—O1^iv	95.2 (6)	Ga3^xi—Ta—Ga3^xii	145.35 (3)
O1—La—O1^iv	156.48 (9)	Ga3^vii—Ta—Ga3^xii	106.88 (8)
O3—La—O2^i	78.6 (6)	O3^vii—Ta—Ga3^viii	97.6 (6)
O3^i—La—O2^i	62.0 (8)	O3^viii—Ta—Ga3^viii	54.4 (7)
O2^ii—La—O2^i	158.9 (4)	O3^ix—Ta—Ga3^viii	113.0 (4)
O2^iii—La—O2^i	65.2 (8)	O3—Ta—Ga3^viii	159.4 (6)
O1—La—O2^i	66.7 (6)	O3^x—Ta—Ga3^viii	32.8 (4)
O1^iv—La—O2^i	123.8 (6)	O3^i—Ta—Ga3^viii	87.9 (4)
O3—La—O2	62.0 (8)	Ga3^xi—Ta—Ga3^viii	106.88 (8)
O3^i—La—O2	78.6 (6)	Ga3^vii—Ta—Ga3^viii	145.35 (3)
O2^ii—La—O2	65.2 (8)	Ga3^xii—Ta—Ga3^viii	62.11 (6)
O2^iii—La—O2	158.9 (4)	O3^vii—Ta—Ga3	87.9 (4)
O1—La—O2	123.8 (6)	O3^viii—Ta—Ga3	159.4 (6)
O1^iv—La—O2	66.7 (6)	O3^ix—Ta—Ga3	32.8 (4)
O2^i—La—O2	133.4 (9)	O3—Ta—Ga3	54.4 (7)
O3—La—Ga2^v	110.0 (5)	O3^x—Ta—Ga3	113.0 (4)
O3^i—La—Ga2^v	84.9 (5)	O3^i—Ta—Ga3	97.6 (6)
O2^ii—La—Ga2^v	130.5 (5)	Ga3^xi—Ta—Ga3	62.11 (6)
O2^iii—La—Ga2^v	32.4 (5)	Ga3^vii—Ta—Ga3	62.11 (6)
O1—La—Ga2^v	64.9 (4)	Ga3^xii—Ta—Ga3	145.34 (3)
O1^iv—La—Ga2^v	111.3 (4)	Ga3^viii—Ta—Ga3	145.34 (3)
O2^i—La—Ga2^v	32.9 (4)	O3^vii—Ta—Ga3^v	159.4 (6)
O2—La—Ga2^v	163.5 (4)	O3^viii—Ta—Ga3^v	87.9 (4)
O3—La—Ga2^vi	84.9 (5)	O3^ix—Ta—Ga3^v	97.6 (6)
O3^i—La—Ga2^vi	110.0 (5)	O3—Ta—Ga3^v	113.0 (4)
O2^ii—La—Ga2^vi	32.4 (5)	O3^x—Ta—Ga3^v	54.4 (7)
O2^iii—La—Ga2^vi	130.4 (5)	O3^i—Ta—Ga3^v	32.8 (4)
O1—La—Ga2^vi	111.3 (4)	Ga3^xi—Ta—Ga3^v	145.34 (3)
O1^iv—La—Ga2^vi	64.9 (4)	Ga3^vii—Ta—Ga3^v	145.34 (3)
O2^i—La—Ga2^vi	163.5 (4)	Ga3^xii—Ta—Ga3^v	62.11 (6)
O2—La—Ga2^vi	32.9 (4)	Ga3^viii—Ta—Ga3^v	62.11 (6)
Ga2^v—La—Ga2^vi	162.68 (5)	Ga3—Ta—Ga3^v	106.88 (8)
O3—La—Ta	32.6 (3)	O1—Ga2—O2^xiii	119.3 (6)
O3^i—La—Ta	32.6 (3)	O1—Ga2—O2^xiv	119.3 (7)
O2^ii—La—Ta	130.5 (5)	O2^xiii—Ga2—O2^xiv	98.2 (8)
O2^iii—La—Ta	130.5 (5)	O1—Ga2—O2^xv	119.3 (6)
O1—La—Ta	101.76 (5)	O2^xiii—Ga2—O2^xv	98.2 (8)
O1^iv—La—Ta	101.76 (5)	O2^xiv—Ga2—O2^xv	98.2 (8)
O2^i—La—Ta	66.7 (4)	O1—Ga2—La^xvi	135.75 (3)
O2—La—Ta	66.7 (4)	O2^xiii—Ga2—La^xvi	46.7 (9)
Ga2^v—La—Ta	98.66 (3)	O2^xiv—Ga2—La^xvi	51.6 (9)
Ga2^vi—La—Ta	98.66 (3)	O2^xv—Ga2—La^xvi	104.9 (7)
O3—La—Ga1	32.6 (3)	O1—Ga2—La^xv	135.75 (3)
O3^i—La—Ga1	32.6 (3)	O2^xiii—Ga2—La^xv	104.9 (7)
O2^ii—La—Ga1	130.5 (5)	O2^xiv—Ga2—La^xv	46.7 (9)
O2^iii—La—Ga1	130.5 (5)	O2^xv—Ga2—La^xv	51.6 (9)
O1—La—Ga1	101.76 (5)	La^xvi—Ga2—La^xv	74.36 (5)
O1^iv—La—Ga1	101.76 (5)	O1—Ga2—La^xvii	135.75 (3)
O2^i—La—Ga1	66.7 (4)	O2^xiii—Ga2—La^xvii	51.6 (9)
O2—La—Ga1	66.7 (4)	O2^xiv—Ga2—La^xvii	104.9 (7)
Ga2^v—La—Ga1	98.66 (3)	O2^xv—Ga2—La^xvii	46.7 (9)
Ga2^vi—La—Ga1	98.66 (3)	La^xvi—Ga2—La^xvii	74.36 (5)
Ta—La—Ga1	0.0	La^xv—Ga2—La^xvii	74.36 (5)
O3^vii—Ga1—O3^viii	81.9 (8)	O1—Ga2—La	42.08 (3)
O3^vii—Ga1—O3^ix	87.1 (7)	O2^xiii—Ga2—La	95.8 (8)
O3^viii—Ga1—O3^ix	161.5 (12)	O2^xiv—Ga2—La	161.1 (7)
O3^vii—Ga1—O3	87.1 (7)	O2^xv—Ga2—La	92.3 (8)
O3^viii—Ga1—O3	107.0 (14)	La^xvi—Ga2—La	139.950 (5)
O3^ix—Ga1—O3	87.1 (7)	La^xv—Ga2—La	139.949 (5)
O3^vii—Ga1—O3^x	107.0 (14)	La^xvii—Ga2—La	93.674 (9)
O3^viii—Ga1—O3^x	87.1 (7)	O1—Ga2—La^xviii	42.07 (3)
O3^ix—Ga1—O3^x	81.9 (8)	O2^xiii—Ga2—La^xviii	92.3 (8)
O3—Ga1—O3^x	161.5 (12)	O2^xiv—Ga2—La^xviii	95.8 (8)
O3^vii—Ga1—O3^i	161.5 (12)	O2^xv—Ga2—La^xviii	161.1 (7)
O3^viii—Ga1—O3^i	87.1 (7)	La^xvi—Ga2—La^xviii	93.675 (9)
O3^ix—Ga1—O3^i	107.0 (14)	La^xv—Ga2—La^xviii	139.950 (5)
O3—Ga1—O3^i	81.9 (8)	La^xvii—Ga2—La^xviii	139.950 (5)
O3^x—Ga1—O3^i	87.1 (7)	La—Ga2—La^xviii	70.95 (5)
O3^vii—Ga1—La^viii	40.9 (4)	O1—Ga2—La^iii	42.08 (3)
O3^viii—Ga1—La^viii	40.9 (4)	O2^xiii—Ga2—La^iii	161.1 (7)
O3^ix—Ga1—La^viii	126.5 (7)	O2^xiv—Ga2—La^iii	92.3 (8)
O3—Ga1—La^viii	99.2 (6)	O2^xv—Ga2—La^iii	95.8 (8)
O3^x—Ga1—La^viii	99.2 (6)	La^xvi—Ga2—La^iii	139.950 (5)
O3^i—Ga1—La^viii	126.5 (7)	La^xv—Ga2—La^iii	93.674 (9)
O3^vii—Ga1—La^ix	99.2 (6)	La^xvii—Ga2—La^iii	139.949 (5)
O3^viii—Ga1—La^ix	126.5 (7)	La—Ga2—La^iii	70.95 (5)
O3^ix—Ga1—La^ix	40.9 (4)	La^xviii—Ga2—La^iii	70.95 (5)
O3—Ga1—La^ix	126.5 (7)	O3^xiii—Ga3—O3^ix	134.7 (14)
O3^x—Ga1—La^ix	40.9 (4)	O3^xiii—Ga3—O2	104.8 (9)
O3^i—Ga1—La^ix	99.2 (6)	O3^ix—Ga3—O2	99.7 (8)
La^viii—Ga1—La^ix	120.0	O3^xiii—Ga3—O2^xix	99.7 (8)
O3^vii—Ga1—La	126.5 (7)	O3^ix—Ga3—O2^xix	104.8 (9)
O3^viii—Ga1—La	99.2 (6)	O2—Ga3—O2^xix	113.1 (19)
O3^ix—Ga1—La	99.2 (6)	O3^xiii—Ga3—Ta^xvii	35.4 (5)
O3—Ga1—La	40.9 (4)	O3^ix—Ga3—Ta^xvii	110.9 (7)
O3^x—Ga1—La	126.5 (7)	O2—Ga3—Ta^xvii	140.2 (8)
O3^i—Ga1—La	40.9 (4)	O2^xix—Ga3—Ta^xvii	83.6 (7)
La^viii—Ga1—La	120.0	O3^xiii—Ga3—Ta	110.9 (7)
La^ix—Ga1—La	120.0	O3^ix—Ga3—Ta	35.4 (5)
O3^vii—Ta—O3^viii	81.9 (8)	O2—Ga3—Ta	83.6 (7)
O3^vii—Ta—O3^ix	87.1 (7)	O2^xix—Ga3—Ta	140.2 (8)
O3^viii—Ta—O3^ix	161.5 (12)	Ta^xvii—Ga3—Ta	106.88 (8)
O3^vii—Ta—O3	87.1 (7)	Ga2—O1—La^xviii	109.1 (4)
O3^viii—Ta—O3	107.0 (14)	Ga2—O1—La	109.1 (4)
O3^ix—Ta—O3	87.1 (7)	La^xviii—O1—La	109.8 (4)
O3^vii—Ta—O3^x	107.0 (14)	Ga2—O1—La^iii	109.1 (4)
O3^viii—Ta—O3^x	87.1 (7)	La^xviii—O1—La^iii	109.8 (4)
O3^ix—Ta—O3^x	81.9 (8)	La—O1—La^iii	109.8 (4)
O3—Ta—O3^x	161.5 (12)	Ga2^vi—O2—Ga3	117.5 (10)
O3^vii—Ta—O3^i	161.5 (12)	Ga2^vi—O2—La^iv	100.9 (12)
O3^viii—Ta—O3^i	87.1 (7)	Ga3—O2—La^iv	113.7 (12)
O3^ix—Ta—O3^i	107.0 (14)	Ga2^vi—O2—La	95.6 (10)
O3—Ta—O3^i	81.9 (8)	Ga3—O2—La	121.4 (14)
O3^x—Ta—O3^i	87.1 (7)	La^iv—O2—La	104.5 (7)
O3^vii—Ta—Ga3^xi	32.8 (4)	Ga3^vii—O3—Ta	111.9 (8)
O3^viii—Ta—Ga3^xi	113.0 (4)	Ga3^vii—O3—Ga1	111.9 (8)
O3^ix—Ta—Ga3^xi	54.4 (7)	Ta—O3—Ga1	0.0
O3—Ta—Ga3^xi	87.9 (4)	Ga3^vii—O3—La	137.7 (10)
O3^x—Ta—Ga3^xi	97.6 (6)	Ta—O3—La	106.5 (5)
O3^i—Ta—Ga3^xi	159.4 (6)	Ga1—O3—La	106.5 (5)

Symmetry codes: (i) x−y, −y, −z; (ii) −x+y+1, −x, z; (iii) y+1, x, −z; (iv) y, x−1, −z; (v) x, y, z+1; (vi) y, x−1, −z−1; (vii) −y, x−y, z; (viii) y, x, −z; (ix) −x+y, −x, z; (x) −x, −x+y, −z; (xi) y, x, −z−1; (xii) −y, x−y, z+1; (xiii) x−y, −y, −z−1; (xiv) −x+1, −x+y+1, −z−1; (xv) y+1, x, −z−1; (xvi) −x+y+1, −x+1, z−1; (xvii) x, y, z−1; (xviii) −x+y+1, −x+1, z; (xix) −x, −x+y, −z−1.

(14.4d3a2)

Crystal data

Ga11La6O28Ta	V = 547.9 Å^3
Mr = 2229.33	Z = 1
?, ?	F(000) = 980
a = 5.013 Å	Dx = 6.756 Mg m^−3
b = 7.944 Å	Ag Kα radiation, λ = 0.56000 Å
c = 13.759 Å	µ = 15.72 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 90°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.044
Graphite monochromator	θmax = 23.0°, θmin = 4.0°
963 measured reflections	h = −6→6
700 independent reflections	k = −10→10
700 reflections with I > 2σ(I)	l = −15→15

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.046	(Δ/σ)max = 0.417
wR(F^2) = 0.132	Δρmax = 1.90 e Å^−3
S = 1.14	Δρmin = −1.73 e Å^−3
700 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
75 parameters	Extinction coefficient: 0.0043 (13)
1 restraint	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.08 (11)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La1	−0.0021 (9)	0.2160 (4)	0.7807 (4)	0.0233 (10)
La2	0.0000	0.5638 (6)	0.0000	0.0220 (13)
Ga1	0.0000	0.0001 (10)	0.0000	0.0289 (9)	0.50
Ta	0.0000	0.0001 (10)	0.0000	0.0289 (9)	0.50
Ga2	0.5178 (7)	0.4963 (14)	0.1654 (7)	0.0212 (10)
Ga3	0.5000	0.2286 (15)	0.0000	0.019 (3)
Ga4	0.495 (2)	0.3846 (10)	0.6194 (7)	0.0204 (15)
O1	0.166 (4)	0.494 (8)	0.170 (5)	0.019 (3)*
O2	0.297 (11)	0.967 (9)	0.222 (5)	0.056 (18)*
O3	0.704 (7)	0.355 (3)	0.079 (3)	0.013 (6)*
O4	−0.348 (11)	0.715 (6)	0.190 (5)	0.060 (12)*
O5	0.276 (7)	0.104 (5)	0.083 (3)	0.026 (8)*
O6	0.796 (6)	0.012 (4)	0.120 (2)	0.012 (6)*
O7	0.226 (7)	0.806 (5)	0.032 (3)	0.019 (9)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La1	0.0202 (18)	0.0094 (17)	0.040 (3)	0.0023 (12)	0.006 (2)	−0.0070 (11)
La2	0.014 (3)	0.028 (3)	0.024 (4)	0.000	0.001 (2)	0.000
Ga1	0.0140 (14)	0.024 (3)	0.048 (5)	0.000	0.004 (3)	0.000
Ta	0.0140 (14)	0.024 (3)	0.048 (5)	0.000	0.004 (3)	0.000
Ga2	0.024 (2)	0.019 (3)	0.021 (3)	0.003 (4)	0.018 (3)	0.008 (3)
Ga3	0.002 (5)	0.022 (5)	0.032 (8)	0.000	0.002 (4)	0.000
Ga4	0.026 (4)	0.013 (3)	0.023 (5)	−0.010 (2)	0.000 (3)	−0.001 (2)

Bond lengths (Å)

La1—O4^i	2.14 (6)	O2—O4	3.83 (7)
La1—O5^ii	2.49 (4)	O2—Ga3^x	3.83 (7)
La1—O6^iii	2.36 (3)	O2—O6^xxvi	4.24 (8)
La1—O1^ii	2.46 (6)	O2—La1^xix	4.12 (7)
La1—O2^i	2.62 (7)	O2—La1^xxxv	4.05 (6)
La1—O1^i	2.48 (6)	O2—O5^xxvi	4.49 (9)
La1—O3^iii	2.68 (4)	O2—Ga4^xxviii	4.31 (6)
La1—O2^iv	2.47 (7)	O2—O3^x	4.19 (6)
La1—Ga2^v	3.370 (10)	O2—La2^xxiv	4.17 (6)
La1—Ga2^iii	3.377 (9)	O2—Ga4^xxxv	4.10 (6)
La1—Ta^vi	3.470 (6)	O2—Ga3^xxiv	4.39 (8)
La1—Ga1^vi	3.470 (6)	O2—O7^ix	4.42 (7)
La2—O7	2.28 (4)	O2—Ga2^xxvii	4.37 (6)
La2—O7^vii	2.28 (4)	O2—O2^xv	4.53 (6)
La2—O1^vii	2.54 (7)	O2—O2^xxvi	4.53 (6)
La2—O1	2.54 (7)	O2—O1^x	4.30 (10)
La2—O3^viii	2.48 (3)	O2—O7^vii	4.56 (8)
La2—O3^ix	2.48 (3)	O2—O5^xxvii	4.88 (7)
La2—O4^vii	3.37 (6)	O2—Ta^xxxvi	4.67 (6)
La2—O4	3.37 (6)	O2—Ga1^xxxvi	4.67 (6)
La2—Ga2^viii	3.363 (5)	O2—O6^xxxvii	4.74 (8)
La2—Ga2^ix	3.363 (5)	O2—Ga2^x	4.41 (7)
La2—Ta^x	3.466 (10)	O2—Ga4^xxvi	4.86 (6)
La2—Ga1^x	3.466 (10)	O2—O3^xxix	4.71 (7)
Ga1—O6^viii	1.94 (3)	O2—O5^xxxvii	4.83 (7)
Ga1—O6^ix	1.94 (3)	O2—O2^viii	5.0130 (5)
Ga1—O7^xi	1.96 (4)	O2—O2^xviii	5.0130 (6)
Ga1—O7^xii	1.96 (4)	O2—O7^xxvi	4.94 (7)
Ga1—O5	1.97 (4)	O2—Ga4^iii	5.22 (8)
Ga1—O5^vii	1.97 (4)	O2—O2^xvi	5.02 (7)
Ga1—O2^xi	3.41 (7)	O2—O2^xxvii	5.02 (7)
Ga1—O2^xii	3.41 (7)	O2—O3	5.63 (7)
Ga1—La2^xii	3.466 (10)	O2—Ga2^viii	5.47 (6)
Ga1—La1^ii	3.470 (6)	O2—La2^xxv	5.26 (6)
Ga1—La1^xiii	3.470 (6)	O2—O3^xxxvii	5.16 (8)
Ga1—O3^viii	3.36 (3)	O2—La2^xviii	5.66 (6)
Ta—O6^viii	1.94 (3)	O2—Ta^xxiv	5.53 (7)
Ta—O6^ix	1.94 (3)	O2—Ga1^xxiv	5.53 (7)
Ta—O7^xi	1.96 (4)	O2—Ga3^xxix	5.44 (7)
Ta—O7^xii	1.96 (4)	O2—O3^xxiv	5.39 (8)
Ta—O5	1.97 (4)	O2—O1^xviii	5.80 (8)
Ta—O5^vii	1.97 (4)	O2—O3^xxxiv	5.78 (8)
Ta—Ga3	3.095 (9)	O2—O3^viii	6.03 (7)
Ta—Ga3^viii	3.095 (9)	O2—O3^xxvii	5.79 (7)
Ta—Ga4^xiv	3.154 (10)	O2—La1^ii	6.15 (7)
Ta—Ga4^xv	3.154 (10)	O2—La2^x	5.83 (8)
Ta—Ga4^xvi	3.115 (12)	O2—O3^xxxiii	5.81 (7)
Ta—Ga4^xvii	3.115 (12)	O2—O3^ix	6.39 (7)
Ga2—O3	1.89 (3)	O2—O1^xxxvi	6.08 (8)
Ga2—O1	1.764 (19)	O2—O2^ix	6.44 (13)
Ga2—O2^xv	1.82 (7)	O2—O1^xxiv	6.19 (9)
Ga2—O4^xviii	1.89 (5)	O2—O2^vii	6.80 (14)
Ga2—O1^xviii	3.25 (2)	O2—O1^vii	6.97 (10)
Ga2—La1^xix	3.370 (10)	O2—O1^viii	6.84 (7)
Ga2—La2^xviii	3.363 (5)	O2—O1^ix	7.10 (9)
Ga2—La1^iii	3.377 (9)	O2—O1^xxxviii	7.21 (10)
Ga2—La1^ii	3.491 (9)	O2—O1^xxix	7.08 (8)
Ga2—La1^xx	3.515 (8)	O2—O3^xxxix	7.19 (7)
Ga2—O2	3.98 (7)	O2—O1^xxxvii	7.34 (9)
Ga3—O5	1.88 (4)	O2—O3^xxxviii	7.20 (8)
Ga3—O5^ix	1.88 (4)	O2—O1^xxv	7.54 (9)
Ga3—O3	1.80 (3)	O2—O1^xl	7.49 (6)
Ga3—O3^ix	1.80 (3)	O3—La2^xviii	2.48 (3)
Ga3—Ta^xviii	3.095 (9)	O3—La1^iii	2.68 (4)
Ga3—O1	3.56 (5)	O3—O6	2.82 (4)
Ga3—O1^ix	3.56 (5)	O3—O1^xviii	2.86 (6)
Ga3—O2^xii	3.83 (7)	O3—O2^xv	2.88 (7)
Ga3—O2^xxi	3.83 (7)	O3—O4^xviii	3.25 (6)
Ga3—O3^viii	4.25 (3)	O3—O5	2.93 (4)
Ga3—O3^xxii	4.25 (3)	O3—O5^ix	2.98 (5)
Ga4—O2^i	1.85 (6)	O3—O3^ix	2.98 (8)
Ga4—O7^i	1.91 (4)	O3—O5^xviii	3.49 (5)
Ga4—O4^xxiii	1.84 (5)	O3—Ta^xviii	3.36 (3)
Ga4—O6^xxiv	1.82 (3)	O3—Ga1^xviii	3.36 (3)
Ga4—Ta^xxv	3.154 (10)	O3—O1^ix	3.65 (7)
Ga4—Ta^xxiv	3.115 (12)	O3—Ga2^ix	3.71 (4)
Ga4—O1^iii	3.48 (6)	O3—O3^xxii	3.67 (6)
Ga4—O1^i	3.58 (6)	O3—Ga4^xvii	3.92 (3)
Ga4—La1^xviii	3.616 (12)	O3—O7^ix	3.91 (5)
Ga4—O3^xxiv	3.92 (3)	O3—La1^ii	4.16 (3)
Ga4—O3^iii	4.28 (3)	O3—La1^xix	4.26 (3)
O1—La1^ii	2.46 (6)	O3—Ga4^iii	4.28 (3)
O1—La1^xx	2.48 (6)	O3—Ga4^xx	4.37 (3)
O1—O3^viii	2.86 (6)	O3—O2^xii	4.19 (6)
O1—O4	3.13 (6)	O3—Ga3^xviii	4.25 (3)
O1—O2^xvi	2.77 (7)	O3—O7	4.36 (5)
O1—O7	3.13 (7)	O3—O4^xvi	3.81 (6)
O1—O3	3.17 (4)	O3—Ga2^xviii	4.40 (4)
O1—O5	3.37 (7)	O3—O6^ix	4.60 (5)
O1—O6^xxvi	2.91 (7)	O3—O1^xv	4.54 (7)
O1—O2^xv	3.08 (8)	O3—O7^xviii	4.49 (5)
O1—Ga2^viii	3.25 (2)	O3—Ga2^xv	4.66 (3)
O1—O4^xviii	3.01 (7)	O3—O6^xxii	4.60 (4)
O1—O4^xvi	3.08 (9)	O3—La1^xli	4.49 (3)
O1—Ga4^iii	3.48 (6)	O3—O7^xxi	4.63 (5)
O1—Ga4^xx	3.58 (6)	O3—O4^vii	5.01 (7)
O1—O2	3.88 (9)	O3—O4^xv	4.67 (7)
O1—O3^ix	3.65 (7)	O3—O2^xlii	4.71 (7)
O1—O6^viii	4.31 (6)	O3—Ga4^xv	4.73 (3)
O1—O5^xxvii	4.16 (6)	O3—O6^xxvi	5.01 (4)
O1—O7^vii	4.21 (7)	O3—O7^xii	5.02 (5)
O1—O3^xxvi	4.54 (7)	O3—O5^xxvi	5.06 (5)
O1—Ga3^viii	4.59 (5)	O3—O3^xviii	5.0130 (1)
O1—O2^xii	4.30 (10)	O3—O3^viii	5.0130 (1)
O1—Ga4^ii	4.49 (4)	O3—O6^xxxiv	5.00 (5)
O1—Ga4^xxviii	4.63 (5)	O3—O7^xv	5.38 (6)
O1—O4^vii	5.33 (9)	O3—Ga4^xxvi	5.11 (3)
O1—O5^xxvi	4.50 (7)	O3—O7^xlii	5.13 (5)
O1—O7^xvi	4.79 (7)	O3—O4^ix	5.68 (6)
O1—Ga1^xxiv	4.62 (6)	O3—La1^xx	5.34 (3)
O1—Ta^xxiv	4.62 (6)	O3—Ga2^xxii	5.27 (3)
O1—Ga1^x	4.72 (6)	O3—O2^xxi	5.16 (8)
O1—Ta^x	4.72 (6)	O3—Ta^xxxvi	5.45 (3)
O1—O6^xxix	4.56 (6)	O3—Ga1^xxxvi	5.45 (3)
O1—La1^iii	4.79 (4)	O3—Ga4^xliii	5.48 (3)
O1—La2^xviii	4.82 (3)	O3—O2^xvii	5.39 (8)
O1—O6	5.01 (5)	O3—La1^xiii	5.53 (4)
O1—La1^xix	4.78 (4)	O3—O1^vii	5.65 (6)
O1—O1^vii	4.95 (13)	O3—Ga4^xliv	5.78 (4)
O1—Ga2^xv	4.83 (6)	O3—O2^xlv	5.78 (8)
O1—Ga2^ix	4.87 (6)	O3—O2^xviii	6.03 (7)
O1—Ga2^xxvi	4.85 (6)	O3—O2^xvi	5.79 (7)
O1—O1^xvi	4.84 (6)	O3—La1^xliii	5.97 (3)
O1—O1^xxvii	4.84 (6)	O3—O2^xliii	5.81 (7)
O1—O5^vii	5.15 (7)	O3—La1^xxvi	5.91 (3)
O1—O7^ix	4.81 (6)	O3—O1^xxvi	6.18 (7)
O1—O1^viii	5.0130 (2)	O3—O2^ix	6.39 (7)
O1—O1^xviii	5.0130 (3)	O3—O1^xvi	6.26 (5)
O1—Ga4^xvii	5.16 (6)	O3—O3^xxvi	6.49 (5)
O1—Ga4^xxvi	5.32 (6)	O3—O3^xv	6.49 (5)
O1—Ga3^xxiv	5.19 (6)	O3—La2^xxiii	6.41 (4)
O1—O2^viii	5.80 (8)	O3—O3^xxxiv	6.84 (6)
O1—O1^ix	5.74 (10)	O3—O3^xlv	6.84 (6)
O1—O3^vii	5.65 (6)	O3—O1^xliii	6.73 (7)
O1—Ga2^xvi	5.71 (5)	O3—O1^xvii	6.87 (7)
O1—O1^xv	5.65 (6)	O4—Ga4^xxviii	1.84 (5)
O1—O1^xxvi	5.65 (6)	O4—Ga2^viii	1.89 (5)
O1—Ga2^vii	5.74 (6)	O4—La1^xx	2.14 (6)
O1—Ga2^xxvii	5.73 (5)	O4—O3^viii	3.25 (6)
O1—La1^xiii	5.85 (6)	O4—O2^xvi	2.32 (7)
O1—La2^i	5.75 (7)	O4—O2^viii	2.72 (7)
O1—La1^xxx	5.83 (6)	O4—O1^viii	3.01 (7)
O1—O3^xv	6.18 (7)	O4—O1^xxvii	3.08 (9)
O1—O2^xxxi	6.08 (8)	O4—O3^xxvii	3.81 (6)
O1—O3^xxvii	6.26 (5)	O5—La1^ii	2.49 (4)
O1—O2^xvii	6.19 (9)	O5—O2^xii	2.21 (8)
O1—La1^xxxii	6.28 (3)	O5—O3^ix	2.98 (5)
O1—La2^viii	6.32 (4)	O5—O3^viii	3.49 (5)
O1—La1^xxviii	6.30 (3)	O5—O1^xvi	4.16 (6)
O1—O2^vii	6.97 (10)	O5—O2^xv	4.49 (9)
O1—O2^xviii	6.84 (7)	O5—O2^xvi	4.88 (7)
O1—O3^xxii	6.71 (5)	O6—Ga4^xvii	1.82 (3)
O1—O2^ix	7.10 (9)	O6—Ta^xviii	1.94 (3)
O1—O3^xxxiii	6.73 (7)	O6—Ga1^xviii	1.94 (3)
O1—O3^xxiv	6.87 (7)	O6—La1^iii	2.36 (3)
O1—O3^xxxiv	7.23 (6)	O6—O2^xii	2.89 (7)
O2—Ga4^xx	1.85 (6)	O6—O1^xv	2.91 (7)
O2—Ga2^xxvi	1.82 (7)	O6—O2^xlii	2.90 (8)
O2—O5^x	2.21 (8)	O6—O2^xv	4.24 (8)
O2—La1^xx	2.62 (7)	O6—O1^xviii	4.31 (6)
O2—O7	2.94 (8)	O6—O3^ix	4.60 (5)
O2—La1^xxx	2.47 (7)	O6—O2^xxi	4.74 (8)
O2—O3^xxvi	2.88 (7)	O7—Ga4^xx	1.91 (4)
O2—O4^xxvii	2.32 (7)	O7—Ta^x	1.96 (4)
O2—O6^x	2.89 (7)	O7—Ga1^x	1.96 (4)
O2—O1^xxvii	2.77 (7)	O7—O3^ix	3.91 (5)
O2—O4^xviii	2.72 (7)	O7—O1^vii	4.21 (7)
O2—O6^xxix	2.90 (8)	O7—O2^ix	4.42 (7)
O2—O1^xxvi	3.08 (8)	O7—O3^viii	4.49 (5)
O2—Ta^x	3.41 (7)	O7—O2^vii	4.56 (8)
O2—Ga1^x	3.41 (7)

Symmetry codes: (i) x, y−1/2, z+1/2; (ii) −x, y, −z+1; (iii) −x+1, y, −z+1; (iv) −x, y−1, −z+1; (v) x−1, y−1/2, z+1/2; (vi) x, y, z+1; (vii) −x, y, −z; (viii) x−1, y, z; (ix) −x+1, y, −z; (x) x, y+1, z; (xi) −x, y−1, −z; (xii) x, y−1, z; (xiii) x, y, z−1; (xiv) x−1, y−1/2, z−1/2; (xv) −x+1, y−1/2, −z+1/2; (xvi) −x, y−1/2, −z+1/2; (xvii) x, y−1/2, z−1/2; (xviii) x+1, y, z; (xix) x+1, y+1/2, z−1/2; (xx) x, y+1/2, z−1/2; (xxi) −x+1, y−1, −z; (xxii) −x+2, y, −z; (xxiii) x+1, y−1/2, z+1/2; (xxiv) x, y+1/2, z+1/2; (xxv) x+1, y+1/2, z+1/2; (xxvi) −x+1, y+1/2, −z+1/2; (xxvii) −x, y+1/2, −z+1/2; (xxviii) x−1, y+1/2, z−1/2; (xxix) x−1, y+1, z; (xxx) −x, y+1, −z+1; (xxxi) x−1, y−1, z; (xxxii) −x−1, y, −z+1; (xxxiii) x−1, y+1/2, z+1/2; (xxxiv) −x+2, y+1/2, −z+1/2; (xxxv) −x+1, y+1, −z+1; (xxxvi) x+1, y+1, z; (xxxvii) −x+1, y+1, −z; (xxxviii) −x, y+1, −z; (xxxix) −x+2, y+1, −z; (xl) −x−1, y+1/2, −z+1/2; (xli) x+1, y, z−1; (xlii) x+1, y−1, z; (xliii) x+1, y−1/2, z−1/2; (xliv) −x+2, y, −z+1; (xlv) −x+2, y−1/2, −z+1/2.

(14.4d3split)

Crystal data

Ga5.54La3O14Ta0.46	V = 273.9 Å^3
Mr = 1110.22	Z = 1
?, ?	F(000) = 488
a = 7.944 Å	Dx = 6.731 Mg m^−3
b = 7.944 Å	Ag Kα radiation, λ = 0.56000 Å
c = 5.012 Å	µ = 15.56 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.000
Graphite monochromator	θmax = 22.9°, θmin = 4.0°
450 measured reflections	h = −10→10
450 independent reflections	k = −7→7
450 reflections with I > 2σ(I)	l = −6→6

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.051	(Δ/σ)max < 0.001
wR(F^2) = 0.161	Δρmax = 2.11 e Å^−3
S = 1.35	Δρmin = −1.83 e Å^−3
450 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
30 parameters	Extinction coefficient: 0.019 (8)
0 restraints	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.15 (15)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La	0.4364 (2)	0.0000	0.0000	0.0211 (5)
Ga1	0.0000	0.0000	0.0000	0.0266 (7)	0.50
Ta	0.0000	0.0000	0.0000	0.0266 (7)	0.50
Ga2	0.6667	0.3333	−0.5191 (6)	0.0184 (7)
Ga3	0.0000	−0.2335 (4)	−0.5000	0.0197 (6)
O1	0.6667	0.3333	−0.158 (4)	0.020 (4)*
O2	0.172 (2)	−0.274 (3)	−0.289 (4)	0.020*	0.70 (3)
O21	0.517 (6)	−0.106 (6)	−0.376 (9)	0.020*	0.30 (3)
O3	0.226 (3)	0.078 (3)	−0.239 (3)	0.045 (4)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La	0.0281 (7)	0.0129 (6)	0.0171 (9)	0.0065 (3)	0.0013 (3)	0.0025 (5)
Ga1	0.0341 (10)	0.0341 (10)	0.0115 (12)	0.0170 (5)	0.000	0.000
Ta	0.0341 (10)	0.0341 (10)	0.0115 (12)	0.0170 (5)	0.000	0.000
Ga2	0.0167 (9)	0.0167 (9)	0.0217 (17)	0.0084 (4)	0.000	0.000
Ga3	0.0207 (13)	0.0201 (9)	0.0184 (13)	0.0104 (6)	0.0080 (9)	0.0040 (5)

Geometric parameters (Å, º)

La—O3^i	2.374 (18)	Ta—Ga3^x	3.1180 (17)
La—O3	2.374 (18)	Ga2—O21^xiii	1.74 (4)
La—O21	2.28 (4)	Ga2—O21^xiv	1.74 (4)
La—O21^i	2.28 (4)	Ga2—O21^xv	1.74 (4)
La—O2^ii	2.473 (18)	Ga2—O1	1.81 (2)
La—O2^iii	2.473 (18)	Ga2—O2^xiv	1.839 (17)
La—O1	2.478 (7)	Ga2—O2^xiii	1.839 (17)
La—O1^iv	2.478 (7)	Ga2—O2^xv	1.839 (17)
La—O2	2.582 (18)	Ga2—La^xvi	3.365 (2)
La—O2^i	2.582 (17)	Ga2—La^xiv	3.365 (2)
La—Ga2^v	3.365 (2)	Ga2—La^xvii	3.365 (2)
La—Ga2^vi	3.365 (2)	Ga2—La^iii	3.505 (2)
Ga1—O3^vii	1.982 (17)	Ga3—O21^v	1.83 (4)
Ga1—O3^i	1.982 (17)	Ga3—O21^xviii	1.83 (4)
Ga1—O3^viii	1.982 (17)	Ga3—O3^xiii	1.783 (17)
Ga1—O3	1.982 (17)	Ga3—O3^vii	1.783 (17)
Ga1—O3^ix	1.982 (17)	Ga3—O2^xix	1.881 (17)
Ga1—O3^x	1.982 (17)	Ga3—O2	1.881 (17)
Ga1—La^vii	3.4666 (17)	Ga3—Ta^xvi	3.1180 (17)
Ga1—La^x	3.4666 (17)	Ga3—La^v	3.627 (2)
Ta—O3^vii	1.982 (17)	Ga3—La^iv	3.627 (2)
Ta—O3^i	1.982 (17)	O1—La^iii	2.478 (7)
Ta—O3^viii	1.982 (17)	O1—La^xx	2.478 (7)
Ta—O3	1.982 (17)	O2—O21^xviii	0.84 (4)
Ta—O3^ix	1.982 (17)	O2—Ga2^v	1.839 (17)
Ta—O3^x	1.982 (17)	O2—La^iv	2.473 (18)
Ta—Ga3	3.1180 (17)	O21—O2^ii	0.84 (4)
Ta—Ga3^vi	3.1180 (17)	O21—O21^xiii	1.91 (8)
Ta—Ga3^xi	3.1180 (17)	O21—Ga2^v	1.74 (4)
Ta—Ga3^ix	3.1180 (17)	O21—Ga3^xiv	1.83 (4)
Ta—Ga3^xii	3.1180 (17)	O3—Ga3^ix	1.783 (17)
O3^i—La—O3	67.0 (8)	Ga3^ix—Ta—Ga3^xii	106.97 (8)
O3^i—La—O21	137.1 (11)	O3^vii—Ta—Ga3^x	113.6 (5)
O3—La—O21	92.5 (11)	O3^i—Ta—Ga3^x	87.8 (5)
O3^i—La—O21^i	92.5 (11)	O3^viii—Ta—Ga3^x	32.1 (5)
O3—La—O21^i	137.1 (11)	O3—Ta—Ga3^x	158.7 (5)
O21—La—O21^i	125 (2)	O3^ix—Ta—Ga3^x	97.1 (5)
O3^i—La—O2^ii	137.1 (6)	O3^x—Ta—Ga3^x	55.3 (5)
O3—La—O2^ii	110.9 (6)	Ga3—Ta—Ga3^x	145.39 (3)
O21—La—O2^ii	19.9 (11)	Ga3^vi—Ta—Ga3^x	62.03 (7)
O21^i—La—O2^ii	109.4 (11)	Ga3^xi—Ta—Ga3^x	106.97 (8)
O3^i—La—O2^iii	110.9 (6)	Ga3^ix—Ta—Ga3^x	145.38 (3)
O3—La—O2^iii	137.1 (6)	Ga3^xii—Ta—Ga3^x	62.03 (7)
O21—La—O2^iii	109.4 (11)	O21^xiii—Ga2—O21^xiv	111.4 (13)
O21^i—La—O2^iii	19.9 (11)	O21^xiii—Ga2—O21^xv	111.4 (13)
O2^ii—La—O2^iii	98.4 (8)	O21^xiv—Ga2—O21^xv	111.4 (13)
O3^i—La—O1	122.6 (5)	O21^xiii—Ga2—O1	107.5 (14)
O3—La—O1	78.5 (5)	O21^xiv—Ga2—O1	107.5 (14)
O21—La—O1	86.3 (11)	O21^xv—Ga2—O1	107.5 (14)
O21^i—La—O1	82.8 (11)	O21^xiii—Ga2—O2^xiv	27.0 (15)
O2^ii—La—O1	97.1 (5)	O21^xiv—Ga2—O2^xiv	84.6 (15)
O2^iii—La—O1	67.0 (5)	O21^xv—Ga2—O2^xiv	120.8 (15)
O3^i—La—O1^iv	78.5 (5)	O1—Ga2—O2^xiv	121.5 (6)
O3—La—O1^iv	122.6 (5)	O21^xiii—Ga2—O2^xiii	84.6 (15)
O21—La—O1^iv	82.8 (11)	O21^xiv—Ga2—O2^xiii	120.8 (15)
O21^i—La—O1^iv	86.3 (11)	O21^xv—Ga2—O2^xiii	27.0 (15)
O2^ii—La—O1^iv	67.0 (5)	O1—Ga2—O2^xiii	121.5 (6)
O2^iii—La—O1^iv	97.1 (5)	O2^xiv—Ga2—O2^xiii	95.1 (8)
O1—La—O1^iv	156.47 (10)	O21^xiii—Ga2—O2^xv	120.8 (15)
O3^i—La—O2	78.1 (6)	O21^xiv—Ga2—O2^xv	27.0 (15)
O3—La—O2	63.6 (6)	O21^xv—Ga2—O2^xv	84.6 (15)
O21—La—O2	59.1 (10)	O1—Ga2—O2^xv	121.5 (6)
O21^i—La—O2	151.3 (11)	O2^xiv—Ga2—O2^xv	95.1 (8)
O2^ii—La—O2	64.9 (7)	O2^xiii—Ga2—O2^xv	95.1 (8)
O2^iii—La—O2	159.0 (2)	O21^xiii—Ga2—La^xvi	38.7 (14)
O1—La—O2	125.2 (6)	O21^xiv—Ga2—La^xvi	111.8 (14)
O1^iv—La—O2	65.4 (5)	O21^xv—Ga2—La^xvi	76.2 (14)
O3^i—La—O2^i	63.6 (6)	O1—Ga2—La^xvi	135.75 (4)
O3—La—O2^i	78.1 (6)	O2^xiv—Ga2—La^xvi	46.0 (6)
O21—La—O2^i	151.3 (11)	O2^xiii—Ga2—La^xvi	49.5 (5)
O21^i—La—O2^i	59.1 (10)	O2^xv—Ga2—La^xvi	102.7 (6)
O2^ii—La—O2^i	159.0 (2)	O21^xiii—Ga2—La^xiv	76.2 (14)
O2^iii—La—O2^i	64.9 (7)	O21^xiv—Ga2—La^xiv	38.7 (14)
O1—La—O2^i	65.4 (5)	O21^xv—Ga2—La^xiv	111.8 (14)
O1^iv—La—O2^i	125.2 (6)	O1—Ga2—La^xiv	135.75 (4)
O2—La—O2^i	134.0 (7)	O2^xiv—Ga2—La^xiv	49.5 (5)
O3^i—La—Ga2^v	109.5 (4)	O2^xiii—Ga2—La^xiv	102.7 (6)
O3—La—Ga2^v	85.3 (4)	O2^xv—Ga2—La^xiv	46.0 (6)
O21—La—Ga2^v	28.5 (10)	La^xvi—Ga2—La^xiv	74.36 (6)
O21^i—La—Ga2^v	137.6 (10)	O21^xiii—Ga2—La^xvii	111.8 (14)
O2^ii—La—Ga2^v	32.4 (4)	O21^xiv—Ga2—La^xvii	76.2 (14)
O2^iii—La—Ga2^v	130.4 (4)	O21^xv—Ga2—La^xvii	38.7 (14)
O1—La—Ga2^v	111.8 (4)	O1—Ga2—La^xvii	135.75 (4)
O1^iv—La—Ga2^v	64.4 (5)	O2^xiv—Ga2—La^xvii	102.7 (6)
O2—La—Ga2^v	32.8 (4)	O2^xiii—Ga2—La^xvii	46.0 (6)
O2^i—La—Ga2^v	163.3 (4)	O2^xv—Ga2—La^xvii	49.5 (5)
O3^i—La—Ga2^vi	85.2 (4)	La^xvi—Ga2—La^xvii	74.36 (6)
O3—La—Ga2^vi	109.5 (4)	La^xiv—Ga2—La^xvii	74.36 (6)
O21—La—Ga2^vi	137.6 (10)	O21^xiii—Ga2—La^iii	101.6 (14)
O21^i—La—Ga2^vi	28.5 (10)	O21^xiv—Ga2—La^iii	71.4 (14)
O2^ii—La—Ga2^vi	130.4 (4)	O21^xv—Ga2—La^iii	142.0 (14)
O2^iii—La—Ga2^vi	32.4 (4)	O1—Ga2—La^iii	42.07 (3)
O1—La—Ga2^vi	64.4 (5)	O2^xiv—Ga2—La^iii	97.2 (6)
O1^iv—La—Ga2^vi	111.8 (4)	O2^xiii—Ga2—La^iii	163.5 (6)
O2—La—Ga2^vi	163.3 (4)	O2^xv—Ga2—La^iii	94.7 (5)
O2^i—La—Ga2^vi	32.8 (4)	La^xvi—Ga2—La^iii	139.953 (5)
Ga2^v—La—Ga2^vi	162.73 (6)	La^xiv—Ga2—La^iii	93.682 (9)
O3^vii—Ga1—O3^i	105.1 (10)	La^xvii—Ga2—La^iii	139.952 (5)
O3^vii—Ga1—O3^viii	82.8 (10)	O21^xiii—Ga2—La	71.4 (14)
O3^i—Ga1—O3^viii	87.3 (7)	O21^xiv—Ga2—La	142.0 (14)
O3^vii—Ga1—O3	87.3 (7)	O21^xv—Ga2—La	101.6 (14)
O3^i—Ga1—O3	82.8 (10)	O1—Ga2—La	42.07 (3)
O3^viii—Ga1—O3	163.7 (11)	O2^xiv—Ga2—La	94.7 (5)
O3^vii—Ga1—O3^ix	87.3 (7)	O2^xiii—Ga2—La	97.1 (6)
O3^i—Ga1—O3^ix	163.7 (11)	O2^xv—Ga2—La	163.5 (6)
O3^viii—Ga1—O3^ix	105.1 (10)	La^xvi—Ga2—La	93.682 (9)
O3—Ga1—O3^ix	87.3 (7)	La^xiv—Ga2—La	139.953 (5)
O3^vii—Ga1—O3^x	163.7 (11)	La^xvii—Ga2—La	139.952 (5)
O3^i—Ga1—O3^x	87.3 (7)	La^iii—Ga2—La	70.94 (5)
O3^viii—Ga1—O3^x	87.3 (7)	O21^v—Ga3—O21^xviii	63 (3)
O3—Ga1—O3^x	105.1 (10)	O21^v—Ga3—O3^xiii	106.8 (14)
O3^ix—Ga1—O3^x	82.8 (10)	O21^xviii—Ga3—O3^xiii	109.4 (15)
O3^vii—Ga1—La	98.2 (5)	O21^v—Ga3—O3^vii	109.4 (15)
O3^i—Ga1—La	41.4 (5)	O21^xviii—Ga3—O3^vii	106.8 (14)
O3^viii—Ga1—La	127.5 (5)	O3^xiii—Ga3—O3^vii	137.2 (11)
O3—Ga1—La	41.4 (5)	O21^v—Ga3—O2^xix	26.2 (14)
O3^ix—Ga1—La	127.5 (5)	O21^xviii—Ga3—O2^xix	89.2 (15)
O3^x—Ga1—La	98.2 (5)	O3^xiii—Ga3—O2^xix	98.2 (8)
O3^vii—Ga1—La^vii	41.4 (5)	O3^vii—Ga3—O2^xix	104.3 (8)
O3^i—Ga1—La^vii	98.2 (5)	O21^v—Ga3—O2	89.2 (15)
O3^viii—Ga1—La^vii	41.4 (5)	O21^xviii—Ga3—O2	26.2 (14)
O3—Ga1—La^vii	127.5 (5)	O3^xiii—Ga3—O2	104.3 (8)
O3^ix—Ga1—La^vii	98.2 (5)	O3^vii—Ga3—O2	98.2 (8)
O3^x—Ga1—La^vii	127.5 (5)	O2^xix—Ga3—O2	115.3 (11)
La—Ga1—La^vii	120.0	O21^v—Ga3—Ta	141.2 (13)
O3^vii—Ga1—La^x	127.5 (5)	O21^xviii—Ga3—Ta	103.6 (13)
O3^i—Ga1—La^x	127.5 (5)	O3^xiii—Ga3—Ta	111.9 (6)
O3^viii—Ga1—La^x	98.2 (5)	O3^vii—Ga3—Ta	36.2 (6)
O3—Ga1—La^x	98.2 (5)	O2^xix—Ga3—Ta	140.4 (6)
O3^ix—Ga1—La^x	41.4 (5)	O2—Ga3—Ta	82.3 (5)
O3^x—Ga1—La^x	41.4 (5)	O21^v—Ga3—Ta^xvi	103.6 (13)
La—Ga1—La^x	120.0	O21^xviii—Ga3—Ta^xvi	141.2 (13)
La^vii—Ga1—La^x	120.0	O3^xiii—Ga3—Ta^xvi	36.2 (6)
O3^vii—Ta—O3^i	105.1 (10)	O3^vii—Ga3—Ta^xvi	111.9 (5)
O3^vii—Ta—O3^viii	82.8 (10)	O2^xix—Ga3—Ta^xvi	82.3 (5)
O3^i—Ta—O3^viii	87.3 (7)	O2—Ga3—Ta^xvi	140.4 (6)
O3^vii—Ta—O3	87.3 (7)	Ta—Ga3—Ta^xvi	106.98 (8)
O3^i—Ta—O3	82.8 (10)	O21^v—Ga3—La^v	31.7 (13)
O3^viii—Ta—O3	163.7 (11)	O21^xviii—Ga3—La^v	67.5 (13)
O3^vii—Ta—O3^ix	87.3 (7)	O3^xiii—Ga3—La^v	75.9 (6)
O3^i—Ta—O3^ix	163.7 (11)	O3^vii—Ga3—La^v	140.4 (6)
O3^viii—Ta—O3^ix	105.1 (10)	O2^xix—Ga3—La^v	39.2 (6)
O3—Ta—O3^ix	87.3 (7)	O2—Ga3—La^v	90.1 (6)
O3^vii—Ta—O3^x	163.7 (11)	Ta—Ga3—La^v	170.22 (8)
O3^i—Ta—O3^x	87.3 (7)	Ta^xvi—Ga3—La^v	82.81 (2)
O3^viii—Ta—O3^x	87.3 (7)	O21^v—Ga3—La^iv	67.5 (13)
O3—Ta—O3^x	105.1 (10)	O21^xviii—Ga3—La^iv	31.7 (13)
O3^ix—Ta—O3^x	82.8 (10)	O3^xiii—Ga3—La^iv	140.4 (6)
O3^vii—Ta—Ga3	32.1 (5)	O3^vii—Ga3—La^iv	75.9 (5)
O3^i—Ta—Ga3	97.1 (5)	O2^xix—Ga3—La^iv	90.1 (6)
O3^viii—Ta—Ga3	113.6 (5)	O2—Ga3—La^iv	39.2 (6)
O3—Ta—Ga3	55.3 (5)	Ta—Ga3—La^iv	82.81 (2)
O3^ix—Ta—Ga3	87.8 (5)	Ta^xvi—Ga3—La^iv	170.22 (8)
O3^x—Ta—Ga3	158.7 (5)	La^v—Ga3—La^iv	87.41 (7)
O3^vii—Ta—Ga3^vi	97.1 (5)	Ga2—O1—La^iii	108.6 (5)
O3^i—Ta—Ga3^vi	32.1 (5)	Ga2—O1—La	108.6 (5)
O3^viii—Ta—Ga3^vi	55.3 (5)	La^iii—O1—La	110.3 (4)
O3—Ta—Ga3^vi	113.6 (5)	Ga2—O1—La^xx	108.6 (5)
O3^ix—Ta—Ga3^vi	158.7 (5)	La^iii—O1—La^xx	110.3 (4)
O3^x—Ta—Ga3^vi	87.8 (5)	La—O1—La^xx	110.3 (4)
Ga3—Ta—Ga3^vi	106.98 (8)	O21^xviii—O2—Ga2^v	70 (3)
O3^vii—Ta—Ga3^xi	55.3 (5)	O21^xviii—O2—Ga3	73 (3)
O3^i—Ta—Ga3^xi	158.7 (5)	Ga2^v—O2—Ga3	114.1 (10)
O3^viii—Ta—Ga3^xi	97.1 (5)	O21^xviii—O2—La^iv	67 (3)
O3—Ta—Ga3^xi	87.8 (5)	Ga2^v—O2—La^iv	101.6 (7)
O3^ix—Ta—Ga3^xi	32.1 (5)	Ga3—O2—La^iv	112.1 (8)
O3^x—Ta—Ga3^xi	113.6 (5)	O21^xviii—O2—La	164 (3)
Ga3—Ta—Ga3^xi	62.03 (7)	Ga2^v—O2—La	97.7 (7)
Ga3^vi—Ta—Ga3^xi	145.39 (3)	Ga3—O2—La	121.7 (8)
O3^vii—Ta—Ga3^ix	87.8 (5)	La^iv—O2—La	107.1 (7)
O3^i—Ta—Ga3^ix	113.6 (5)	O2^ii—O21—O21^xiii	139 (3)
O3^viii—Ta—Ga3^ix	158.7 (5)	O2^ii—O21—Ga2^v	83 (3)
O3—Ta—Ga3^ix	32.1 (5)	O21^xiii—O21—Ga2^v	119 (3)
O3^ix—Ta—Ga3^ix	55.3 (5)	O2^ii—O21—Ga3^xiv	80 (3)
O3^x—Ta—Ga3^ix	97.1 (5)	O21^xiii—O21—Ga3^xiv	58.5 (13)
Ga3—Ta—Ga3^ix	62.03 (7)	Ga2^v—O21—Ga3^xiv	122 (2)
Ga3^vi—Ta—Ga3^ix	145.39 (3)	O2^ii—O21—La	93 (3)
Ga3^xi—Ta—Ga3^ix	62.03 (7)	O21^xiii—O21—La	107 (3)
O3^vii—Ta—Ga3^xii	158.7 (5)	Ga2^v—O21—La	113 (2)
O3^i—Ta—Ga3^xii	55.3 (5)	Ga3^xiv—O21—La	123 (2)
O3^viii—Ta—Ga3^xii	87.8 (5)	Ga3^ix—O3—Ta	111.7 (10)
O3—Ta—Ga3^xii	97.1 (5)	Ga3^ix—O3—Ga1	111.7 (10)
O3^ix—Ta—Ga3^xii	113.6 (5)	Ta—O3—Ga1	0.0
O3^x—Ta—Ga3^xii	32.1 (5)	Ga3^ix—O3—La	140.1 (9)
Ga3—Ta—Ga3^xii	145.39 (3)	Ta—O3—La	105.1 (7)
Ga3^vi—Ta—Ga3^xii	62.03 (7)	Ga1—O3—La	105.1 (7)
Ga3^xi—Ta—Ga3^xii	145.38 (3)

Symmetry codes: (i) x−y, −y, −z; (ii) −x+y+1, −x, z; (iii) y+1, x, −z; (iv) y, x−1, −z; (v) y, x−1, −z−1; (vi) x, y, z+1; (vii) −x+y, −x, z; (viii) −x, −x+y, −z; (ix) −y, x−y, z; (x) y, x, −z; (xi) y, x, −z−1; (xii) −y, x−y, z+1; (xiii) x−y, −y, −z−1; (xiv) y+1, x, −z−1; (xv) −x+1, −x+y+1, −z−1; (xvi) x, y, z−1; (xvii) −x+y+1, −x+1, z−1; (xviii) −y, x−y−1, z; (xix) −x, −x+y, −z−1; (xx) −x+y+1, −x+1, z.

(15.6d3)

Crystal data

Ga5.50La3Nb0.50O14	V = 268.2 Å^3
Mr = 1070.65	Z = 1
?, ?	F(000) = 474
a = 7.864 Å	Dx = 6.630 Mg m^−3
b = 7.864 Å	? radiation, λ = 0.54920 Å
c = 5.007 Å	µ = 15.05 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.076
Graphite monochromator	θmax = 36.2°, θmin = 3.1°
532 measured reflections	h = −12→12
419 independent reflections	k = −10→10
414 reflections with I > 2σ(I)	l = −8→8

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.070	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.184	(Δ/σ)max < 0.001
S = 1.43	Δρmax = 3.10 e Å^−3
419 reflections	Δρmin = −2.12 e Å^−3
38 parameters	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
0 restraints	Absolute structure parameter: 0.12 (18)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La	0.4361 (3)	0.0000	0.0000	0.0250 (5)
Ga1	0.0000	0.0000	0.0000	0.0274 (11)	0.50
Ga2	0.6667	0.3333	0.4875 (9)	0.0244 (9)
Ga3	0.7661 (4)	0.0000	0.5000	0.0236 (7)
Nb	0.0000	0.0000	0.0000	0.0274 (11)	0.50
O1	0.6667	0.3333	−0.160 (7)	0.030 (6)
O2	0.445 (4)	0.295 (7)	0.319 (5)	0.096 (16)
O3	0.221 (4)	0.074 (5)	−0.234 (4)	0.086 (13)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La	0.0312 (8)	0.0149 (7)	0.0235 (9)	0.0074 (3)	0.0015 (4)	0.0030 (8)
Ga1	0.0351 (17)	0.0351 (17)	0.012 (3)	0.0176 (9)	0.000	0.000
Ga2	0.0266 (12)	0.0266 (12)	0.020 (2)	0.0133 (6)	0.000	0.000
Ga3	0.0217 (10)	0.0315 (19)	0.0210 (17)	0.0158 (9)	−0.0037 (7)	−0.0074 (14)
Nb	0.0351 (17)	0.0351 (17)	0.012 (3)	0.0176 (9)	0.000	0.000
O1	0.025 (8)	0.025 (8)	0.038 (18)	0.013 (4)	0.000	0.000
O2	0.060 (16)	0.21 (4)	0.050 (17)	0.09 (2)	0.039 (15)	0.08 (2)
O3	0.08 (2)	0.15 (3)	0.067 (18)	0.09 (2)	0.042 (15)	0.08 (2)

Geometric parameters (Å, º)

La—O3	2.36 (2)	Ga3—O2^iv	1.73 (2)
La—O3^i	2.36 (2)	Ga3—O2^xiv	1.73 (2)
La—O1^ii	2.459 (12)	Ga3—O3^iii	1.80 (2)
La—O1	2.459 (12)	Ga3—O3^xv	1.80 (2)
La—O2^iii	2.43 (3)	Ga3—O3^xi	2.54 (4)
La—O2^iv	2.43 (3)	Ga3—O3^xvi	2.54 (4)
La—O2^i	2.79 (4)	Ga3—Nb^xvii	3.106 (2)
La—O2	2.79 (4)	Ga3—Nb^xviii	3.106 (2)
La—Ga2	3.371 (3)	Ga3—La^ix	3.606 (3)
La—Ga2^ii	3.371 (3)	Nb—O3^v	1.93 (2)
La—Ga1	3.430 (2)	Nb—O3^vi	1.93 (2)
La—Nb	3.430 (2)	Nb—O3	1.93 (2)
Ga1—O3^v	1.93 (2)	Nb—O3^vii	1.93 (2)
Ga1—O3^vi	1.93 (2)	Nb—O3^i	1.93 (2)
Ga1—O3	1.93 (2)	Nb—O3^viii	1.93 (2)
Ga1—O3^vii	1.93 (2)	Nb—Ga3^xix	3.106 (2)
Ga1—O3^i	1.93 (2)	Nb—Ga3^ii	3.106 (2)
Ga1—O3^viii	1.93 (2)	Nb—Ga3^xx	3.106 (2)
Ga1—La^v	3.430 (2)	Nb—Ga3^x	3.106 (2)
Ga1—La^vii	3.430 (2)	Nb—Ga3^xxi	3.106 (2)
Ga2—O1^ix	1.77 (4)	Nb—Ga3^xxii	3.106 (2)
Ga2—O2^iv	1.82 (2)	O1—Ga2^xxiii	1.77 (4)
Ga2—O2^x	1.82 (2)	O1—La^xi	2.459 (12)
Ga2—O2	1.82 (2)	O1—La^x	2.459 (12)
Ga2—La^xi	3.371 (3)	O2—Ga3^x	1.73 (2)
Ga2—La^x	3.371 (3)	O2—La^x	2.43 (3)
Ga2—La^xii	3.463 (3)	O3—Ga3^xx	1.80 (2)
Ga2—La^ix	3.463 (3)	O3—Ga3^ii	2.54 (4)
Ga2—La^xiii	3.463 (3)
O3—La—O3^i	65.4 (10)	O2^x—Ga2—La^xiii	97.1 (9)
O3—La—O1^ii	122.1 (9)	O2—Ga2—La^xiii	88.6 (11)
O3^i—La—O1^ii	79.2 (8)	La^xi—Ga2—La^xiii	140.187 (6)
O3—La—O1	79.2 (8)	La^x—Ga2—La^xiii	94.214 (11)
O3^i—La—O1	122.1 (9)	La—Ga2—La^xiii	140.187 (5)
O1^ii—La—O1	156.42 (13)	La^xii—Ga2—La^xiii	71.11 (8)
O3—La—O2^iii	107.0 (11)	La^ix—Ga2—La^xiii	71.11 (8)
O3^i—La—O2^iii	139.8 (11)	O2^iv—Ga3—O2^xiv	104 (3)
O1^ii—La—O2^iii	72.5 (9)	O2^iv—Ga3—O3^iii	99.8 (13)
O1—La—O2^iii	92.6 (8)	O2^xiv—Ga3—O3^iii	107.2 (12)
O3—La—O2^iv	139.8 (11)	O2^iv—Ga3—O3^xv	107.2 (12)
O3^i—La—O2^iv	107.0 (12)	O2^xiv—Ga3—O3^xv	99.8 (13)
O1^ii—La—O2^iv	92.6 (8)	O3^iii—Ga3—O3^xv	136 (2)
O1—La—O2^iv	72.5 (9)	O2^iv—Ga3—O3^xi	75.9 (17)
O2^iii—La—O2^iv	102.3 (16)	O2^xiv—Ga3—O3^xi	179.6 (16)
O3—La—O2^i	62.7 (12)	O3^iii—Ga3—O3^xi	73.0 (13)
O3^i—La—O2^i	78.4 (9)	O3^xv—Ga3—O3^xi	80.2 (12)
O1^ii—La—O2^i	66.5 (9)	O2^iv—Ga3—O3^xvi	179.6 (16)
O1—La—O2^i	124.0 (10)	O2^xiv—Ga3—O3^xvi	75.9 (17)
O2^iii—La—O2^i	64.4 (11)	O3^iii—Ga3—O3^xvi	80.2 (12)
O2^iv—La—O2^i	157.4 (6)	O3^xv—Ga3—O3^xvi	73.0 (13)
O3—La—O2	78.4 (9)	O3^xi—Ga3—O3^xvi	104.4 (11)
O3^i—La—O2	62.7 (12)	O2^iv—Ga3—Nb^xvii	86.8 (12)
O1^ii—La—O2	124.0 (10)	O2^xiv—Ga3—Nb^xvii	141.9 (8)
O1—La—O2	66.5 (9)	O3^iii—Ga3—Nb^xvii	34.8 (8)
O2^iii—La—O2	157.4 (6)	O3^xv—Ga3—Nb^xvii	112.0 (12)
O2^iv—La—O2	64.4 (11)	O3^xi—Ga3—Nb^xvii	38.3 (5)
O2^i—La—O2	133.9 (11)	O3^xvi—Ga3—Nb^xvii	93.4 (5)
O3—La—Ga2	109.9 (9)	O2^iv—Ga3—Nb^xviii	141.9 (8)
O3^i—La—Ga2	84.9 (8)	O2^xiv—Ga3—Nb^xviii	86.8 (12)
O1^ii—La—Ga2	110.8 (8)	O3^iii—Ga3—Nb^xviii	112.0 (12)
O1—La—Ga2	65.4 (8)	O3^xv—Ga3—Nb^xviii	34.8 (8)
O2^iii—La—Ga2	131.6 (7)	O3^xi—Ga3—Nb^xviii	93.4 (5)
O2^iv—La—Ga2	31.7 (6)	O3^xvi—Ga3—Nb^xviii	38.3 (5)
O2^i—La—Ga2	163.3 (4)	Nb^xvii—Ga3—Nb^xviii	107.40 (10)
O2—La—Ga2	32.7 (5)	O2^iv—Ga3—La^ix	85.4 (13)
O3—La—Ga2^ii	84.9 (8)	O2^xiv—Ga3—La^ix	36.1 (11)
O3^i—La—Ga2^ii	109.9 (9)	O3^iii—Ga3—La^ix	141.9 (8)
O1^ii—La—Ga2^ii	65.4 (8)	O3^xv—Ga3—La^ix	75.9 (12)
O1—La—Ga2^ii	110.8 (8)	O3^xi—Ga3—La^ix	143.6 (5)
O2^iii—La—Ga2^ii	31.7 (6)	O3^xvi—Ga3—La^ix	94.4 (5)
O2^iv—La—Ga2^ii	131.6 (7)	Nb^xvii—Ga3—La^ix	170.27 (10)
O2^i—La—Ga2^ii	32.7 (5)	Nb^xviii—Ga3—La^ix	82.33 (2)
O2—La—Ga2^ii	163.3 (4)	O2^iv—Ga3—La	36.1 (11)
Ga2—La—Ga2^ii	162.86 (7)	O2^xiv—Ga3—La	85.4 (13)
O3—La—Ga1	32.7 (5)	O3^iii—Ga3—La	75.9 (12)
O3^i—La—Ga1	32.7 (5)	O3^xv—Ga3—La	141.9 (8)
O1^ii—La—Ga1	101.79 (7)	O3^xi—Ga3—La	94.4 (5)
O1—La—Ga1	101.79 (7)	O3^xvi—Ga3—La	143.6 (5)
O2^iii—La—Ga1	128.9 (8)	Nb^xvii—Ga3—La	82.33 (2)
O2^iv—La—Ga1	128.9 (8)	Nb^xviii—Ga3—La	170.27 (10)
O2^i—La—Ga1	66.9 (5)	La^ix—Ga3—La	87.94 (9)
O2—La—Ga1	66.9 (5)	O3^v—Nb—O3^vi	86.9 (12)
Ga2—La—Ga1	98.57 (3)	O3^v—Nb—O3	86.9 (12)
Ga2^ii—La—Ga1	98.57 (3)	O3^vi—Nb—O3	86.9 (12)
O3—La—Nb	32.7 (5)	O3^v—Nb—O3^vii	163.1 (19)
O3^i—La—Nb	32.7 (5)	O3^vi—Nb—O3^vii	83.0 (13)
O1^ii—La—Nb	101.79 (7)	O3—Nb—O3^vii	106 (2)
O1—La—Nb	101.79 (7)	O3^v—Nb—O3^i	106 (2)
O2^iii—La—Nb	128.9 (8)	O3^vi—Nb—O3^i	163.1 (19)
O2^iv—La—Nb	128.9 (8)	O3—Nb—O3^i	83.0 (13)
O2^i—La—Nb	66.9 (5)	O3^vii—Nb—O3^i	86.9 (12)
O2—La—Nb	66.9 (5)	O3^v—Nb—O3^viii	83.0 (13)
Ga2—La—Nb	98.57 (3)	O3^vi—Nb—O3^viii	106 (2)
Ga2^ii—La—Nb	98.57 (3)	O3—Nb—O3^viii	163.1 (19)
Ga1—La—Nb	0.0	O3^vii—Nb—O3^viii	86.9 (12)
O3^v—Ga1—O3^vi	86.9 (12)	O3^i—Nb—O3^viii	86.9 (12)
O3^v—Ga1—O3	86.9 (12)	O3^v—Nb—Ga3^xix	54.8 (11)
O3^vi—Ga1—O3	86.9 (12)	O3^vi—Nb—Ga3^xix	32.2 (7)
O3^v—Ga1—O3^vii	163.1 (19)	O3—Nb—Ga3^xix	87.3 (7)
O3^vi—Ga1—O3^vii	83.0 (13)	O3^vii—Nb—Ga3^xix	113.8 (6)
O3—Ga1—O3^vii	106 (2)	O3^i—Nb—Ga3^xix	159.0 (11)
O3^v—Ga1—O3^i	106 (2)	O3^viii—Nb—Ga3^xix	97.7 (10)
O3^vi—Ga1—O3^i	163.1 (19)	O3^v—Nb—Ga3^ii	32.2 (7)
O3—Ga1—O3^i	83.0 (13)	O3^vi—Nb—Ga3^ii	87.3 (7)
O3^vii—Ga1—O3^i	86.9 (12)	O3—Nb—Ga3^ii	54.8 (11)
O3^v—Ga1—O3^viii	83.0 (13)	O3^vii—Nb—Ga3^ii	159.0 (11)
O3^vi—Ga1—O3^viii	106 (2)	O3^i—Nb—Ga3^ii	97.7 (10)
O3—Ga1—O3^viii	163.1 (19)	O3^viii—Nb—Ga3^ii	113.8 (6)
O3^vii—Ga1—O3^viii	86.9 (12)	Ga3^xix—Nb—Ga3^ii	61.69 (8)
O3^i—Ga1—O3^viii	86.9 (12)	O3^v—Nb—Ga3^xx	87.3 (7)
O3^v—Ga1—La	98.4 (9)	O3^vi—Nb—Ga3^xx	54.8 (11)
O3^vi—Ga1—La	127.0 (11)	O3—Nb—Ga3^xx	32.2 (7)
O3—Ga1—La	41.5 (6)	O3^vii—Nb—Ga3^xx	97.7 (10)
O3^vii—Ga1—La	98.4 (9)	O3^i—Nb—Ga3^xx	113.8 (6)
O3^i—Ga1—La	41.5 (6)	O3^viii—Nb—Ga3^xx	159.0 (11)
O3^viii—Ga1—La	127.0 (11)	Ga3^xix—Nb—Ga3^xx	61.69 (8)
O3^v—Ga1—La^v	41.5 (6)	Ga3^ii—Nb—Ga3^xx	61.69 (8)
O3^vi—Ga1—La^v	98.4 (9)	O3^v—Nb—Ga3^x	159.0 (11)
O3—Ga1—La^v	127.0 (11)	O3^vi—Nb—Ga3^x	113.8 (6)
O3^vii—Ga1—La^v	127.0 (11)	O3—Nb—Ga3^x	97.7 (10)
O3^i—Ga1—La^v	98.4 (9)	O3^vii—Nb—Ga3^x	32.1 (7)
O3^viii—Ga1—La^v	41.5 (6)	O3^i—Nb—Ga3^x	54.8 (11)
La—Ga1—La^v	120.0	O3^viii—Nb—Ga3^x	87.3 (7)
O3^v—Ga1—La^vii	127.0 (11)	Ga3^xix—Nb—Ga3^x	145.56 (4)
O3^vi—Ga1—La^vii	41.5 (6)	Ga3^ii—Nb—Ga3^x	145.56 (4)
O3—Ga1—La^vii	98.4 (9)	Ga3^xx—Nb—Ga3^x	107.40 (10)
O3^vii—Ga1—La^vii	41.5 (6)	O3^v—Nb—Ga3^xxi	97.7 (10)
O3^i—Ga1—La^vii	127.0 (11)	O3^vi—Nb—Ga3^xxi	159.0 (11)
O3^viii—Ga1—La^vii	98.4 (9)	O3—Nb—Ga3^xxi	113.8 (6)
La—Ga1—La^vii	120.0	O3^vii—Nb—Ga3^xxi	87.3 (7)
La^v—Ga1—La^vii	120.0	O3^i—Nb—Ga3^xxi	32.1 (7)
O1^ix—Ga2—O2^iv	117.6 (7)	O3^viii—Nb—Ga3^xxi	54.8 (11)
O1^ix—Ga2—O2^x	117.6 (8)	Ga3^xix—Nb—Ga3^xxi	145.56 (4)
O2^iv—Ga2—O2^x	100.2 (9)	Ga3^ii—Nb—Ga3^xxi	107.40 (10)
O1^ix—Ga2—O2	117.6 (7)	Ga3^xx—Nb—Ga3^xxi	145.56 (4)
O2^iv—Ga2—O2	100.2 (9)	Ga3^x—Nb—Ga3^xxi	61.69 (8)
O2^x—Ga2—O2	100.2 (9)	O3^v—Nb—Ga3^xxii	113.8 (6)
O1^ix—Ga2—La^xi	136.39 (5)	O3^vi—Nb—Ga3^xxii	97.7 (10)
O2^iv—Ga2—La^xi	55.8 (13)	O3—Nb—Ga3^xxii	159.0 (11)
O2^x—Ga2—La^xi	44.4 (11)	O3^vii—Nb—Ga3^xxii	54.8 (11)
O2—Ga2—La^xi	105.6 (7)	O3^i—Nb—Ga3^xxii	87.3 (7)
O1^ix—Ga2—La^x	136.40 (5)	O3^viii—Nb—Ga3^xxii	32.1 (7)
O2^iv—Ga2—La^x	105.6 (7)	Ga3^xix—Nb—Ga3^xxii	107.40 (10)
O2^x—Ga2—La^x	55.8 (13)	Ga3^ii—Nb—Ga3^xxii	145.56 (4)
O2—Ga2—La^x	44.4 (11)	Ga3^xx—Nb—Ga3^xxii	145.56 (4)
La^xi—Ga2—La^x	73.35 (8)	Ga3^x—Nb—Ga3^xxii	61.69 (8)
O1^ix—Ga2—La	136.39 (5)	Ga3^xxi—Nb—Ga3^xxii	61.69 (8)
O2^iv—Ga2—La	44.4 (11)	Ga2^xxiii—O1—La^xi	109.0 (8)
O2^x—Ga2—La	105.6 (7)	Ga2^xxiii—O1—La	109.0 (8)
O2—Ga2—La	55.8 (13)	La^xi—O1—La	110.0 (8)
La^xi—Ga2—La	73.35 (8)	Ga2^xxiii—O1—La^x	109.0 (8)
La^x—Ga2—La	73.35 (8)	La^xi—O1—La^x	110.0 (8)
O1^ix—Ga2—La^xii	42.18 (5)	La—O1—La^x	110.0 (8)
O2^iv—Ga2—La^xii	97.1 (9)	Ga3^x—O2—Ga2	120.4 (13)
O2^x—Ga2—La^xii	88.6 (11)	Ga3^x—O2—La^x	119.0 (15)
O2—Ga2—La^xii	158.8 (9)	Ga2—O2—La^x	103.9 (15)
La^xi—Ga2—La^xii	94.214 (11)	Ga3^x—O2—La	116 (2)
La^x—Ga2—La^xii	140.187 (5)	Ga2—O2—La	91.4 (13)
La—Ga2—La^xii	140.188 (5)	La^x—O2—La	100.7 (9)
O1^ix—Ga2—La^ix	42.18 (5)	Ga3^xx—O3—Nb	113.1 (13)
O2^iv—Ga2—La^ix	88.6 (11)	Ga3^xx—O3—Ga1	113.1 (13)
O2^x—Ga2—La^ix	158.8 (9)	Nb—O3—Ga1	0.0
O2—Ga2—La^ix	97.1 (9)	Ga3^xx—O3—La	138.0 (14)
La^xi—Ga2—La^ix	140.187 (5)	Nb—O3—La	105.8 (8)
La^x—Ga2—La^ix	140.187 (6)	Ga1—O3—La	105.8 (8)
La—Ga2—La^ix	94.214 (11)	Ga3^xx—O3—Ga3^ii	92.9 (12)
La^xii—Ga2—La^ix	71.11 (8)	Nb—O3—Ga3^ii	87.0 (12)
O1^ix—Ga2—La^xiii	42.18 (5)	Ga1—O3—Ga3^ii	87.0 (12)
O2^iv—Ga2—La^xiii	158.8 (9)	La—O3—Ga3^ii	104.8 (12)

Symmetry codes: (i) x−y, −y, −z; (ii) y, x−1, −z; (iii) −x+1, −x+y, −z; (iv) −y+1, x−y, z; (v) −x+y, −x, z; (vi) −y, x−y, z; (vii) y, x, −z; (viii) −x, −x+y, −z; (ix) x, y, z+1; (x) −x+y+1, −x+1, z; (xi) y+1, x, −z; (xii) y+1, x, −z+1; (xiii) −x+y+1, −x+1, z+1; (xiv) −x+1, −x+y, −z+1; (xv) −y+1, x−y, z+1; (xvi) −x+y+1, −x, z+1; (xvii) x+1, y, z; (xviii) x+1, y, z+1; (xix) x−1, y, z−1; (xx) −x+y+1, −x+1, z−1; (xxi) y, x−1, −z+1; (xxii) x−1, y, z; (xxiii) x, y, z−1.

(15.6d3split)

Crystal data

Ga5.50La3Nb0.50O14	V = 268.2 Å^3
Mr = 1070.65	Z = 1
?, ?	F(000) = 474
a = 7.864 Å	Dx = 6.630 Mg m^−3
b = 7.864 Å	? radiation, λ = 0.54920 Å
c = 5.007 Å	µ = 15.05 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.076
Graphite monochromator	θmax = 36.2°, θmin = 3.1°
532 measured reflections	h = −12→12
419 independent reflections	k = −10→10
414 reflections with I > 2σ(I)	l = −8→8

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.070	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.182	(Δ/σ)max < 0.001
S = 1.41	Δρmax = 2.89 e Å^−3
419 reflections	Δρmin = −2.19 e Å^−3
32 parameters	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
0 restraints	Absolute structure parameter: 0.13 (17)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La	0.4361 (3)	0.0000	0.0000	0.0252 (5)
Ga1	0.0000	0.0000	0.0000	0.0277 (11)	0.50
Ga2	0.6667	0.3333	0.4876 (8)	0.0237 (9)
Ga3	0.7664 (4)	0.0000	0.5000	0.0232 (7)
Nb	0.0000	0.0000	0.0000	0.0277 (11)	0.50
O1	0.6667	0.3333	−0.153 (6)	0.027 (5)*
O2	0.468 (8)	0.380 (9)	0.371 (11)	0.038 (14)*	0.38 (6)
O21	0.443 (3)	0.277 (4)	0.301 (5)	0.022 (8)*	0.62 (6)
O3	0.225 (4)	0.077 (4)	−0.234 (4)	0.069 (8)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La	0.0313 (8)	0.0152 (7)	0.0237 (9)	0.0076 (3)	0.0016 (4)	0.0033 (8)
Ga1	0.0347 (17)	0.0347 (17)	0.014 (3)	0.0174 (8)	0.000	0.000
Ga2	0.0260 (12)	0.0260 (12)	0.019 (2)	0.0130 (6)	0.000	0.000
Ga3	0.0222 (10)	0.0304 (18)	0.0199 (16)	0.0152 (9)	−0.0043 (6)	−0.0086 (13)
Nb	0.0347 (17)	0.0347 (17)	0.014 (3)	0.0174 (8)	0.000	0.000

Bond lengths (Å)

La—O2^i	2.24 (5)	O2—Ga3^xx	4.82 (5)
La—O2^ii	2.24 (5)	O2—O2^xxxvii	4.45 (6)
La—O3^iii	2.35 (3)	O2—O2^xliii	4.45 (6)
La—O3	2.35 (3)	O2—O21^xxv	4.70 (6)
La—O1	2.449 (10)	O2—O3^xi	5.16 (7)
La—O1^iv	2.449 (10)	O2—O2^x	5.0070
La—O21^i	2.47 (3)	O2—O2^xxii	5.0070
La—O21^ii	2.47 (3)	O2—O21^xxxvii	5.03 (6)
La—O21	2.63 (3)	O2—La^xxvi	5.08 (5)
La—O21^iii	2.63 (3)	O2—O3^xliv	5.19 (6)
La—O2^iii	3.42 (6)	O2—O3^xxiv	4.95 (7)
La—O2	3.42 (6)	O2—Nb^xxvii	4.93 (6)
Ga1—O3	1.95 (3)	O2—Ga1^xxvii	4.93 (6)
Ga1—O3^v	1.95 (3)	O2—O21^iii	5.60 (8)
Ga1—O3^vi	1.95 (3)	O2—O2^i	5.43 (7)
Ga1—O3^vii	1.95 (3)	O2—O2^xxv	5.43 (7)
Ga1—O3^iii	1.95 (3)	O2—O21^xxii	5.41 (6)
Ga1—O3^viii	1.95 (3)	O2—O3^xiii	5.55 (6)
Ga1—O21	3.40 (2)	O2—O21^vi	5.23 (6)
Ga1—O21^viii	3.40 (2)	O2—O3^ii	5.65 (6)
Ga1—O21^iii	3.40 (2)	O2—O21^xliii	4.69 (7)
Ga1—O21^vii	3.40 (2)	O2—O3^xxxviii	5.09 (6)
Ga1—O21^v	3.40 (2)	O2—O21^i	5.77 (6)
Ga1—O21^vi	3.40 (2)	O2—O1^xxxviii	4.89 (6)
Ga2—O2	1.87 (5)	O2—Ga2^vii	5.20 (5)
Ga2—O2^ix	1.87 (6)	O2—O3^xli	5.37 (6)
Ga2—O2^ii	1.87 (5)	O2—La^xxxviii	5.03 (5)
Ga2—O1^x	1.80 (3)	O2—O3^i	5.80 (7)
Ga2—O21^ii	1.84 (2)	O2—O3^v	5.68 (6)
Ga2—O21^ix	1.84 (2)	O2—O21^v	5.88 (6)
Ga2—O21	1.84 (2)	O2—O21^xii	5.28 (6)
Ga2—O1	3.21 (3)	O21—Ga3^ix	1.81 (2)
Ga2—O3^xi	3.33 (3)	O21—O3^iii	2.61 (4)
Ga2—O3^xii	3.33 (3)	O21—La^ix	2.47 (3)
Ga2—O3^x	3.33 (3)	O21—O3^vii	2.72 (3)
Ga2—La^xiii	3.371 (3)	O21—O2^ii	2.52 (5)
Ga3—O21^ii	1.81 (2)	O21—O2^xxxviii	2.43 (7)
Ga3—O21^xiv	1.81 (2)	O21—O3^x	2.85 (3)
Ga3—O3^i	1.79 (3)	O21—O21^xxxviii	3.01 (5)
Ga3—O3^xi	1.79 (3)	O21—O2^ix	3.22 (6)
Ga3—O2^ii	1.73 (5)	O21—O21^ii	2.74 (4)
Ga3—O2^xiv	1.73 (5)	O21—O21^ix	2.74 (4)
Ga3—O3^xiii	2.56 (3)	O21—O3	3.15 (4)
Ga3—O3^xv	2.56 (3)	O21—O1^x	3.16 (4)
Ga3—Nb^xvi	3.105 (2)	O21—O1^vii	3.65 (3)
Ga3—Nb^xvii	3.105 (2)	O21—O21^vii	3.77 (5)
Ga3—O1^iv	3.543 (16)	O21—Ga2^xxxviii	3.73 (3)
Ga3—O1^x	3.543 (16)	O21—Ga3^xxi	3.91 (3)
Nb—O3	1.95 (3)	O21—O2^vii	3.81 (5)
Nb—O3^v	1.95 (3)	O21—La^xii	4.01 (3)
Nb—O3^vi	1.95 (3)	O21—O3^xxv	3.94 (4)
Nb—O3^vii	1.95 (3)	O21—La^x	4.11 (3)
Nb—O3^iii	1.95 (3)	O21—O21^xli	4.27 (5)
Nb—O3^viii	1.95 (3)	O21—O2^xiv	3.66 (6)
Nb—Ga3^iv	3.105 (2)	O21—O3^xl	4.36 (4)
Nb—Ga3^xviii	3.105 (2)	O21—Ga3^xix	4.28 (3)
Nb—Ga3^xix	3.105 (2)	O21—La^xiii	4.19 (2)
Nb—Ga3^ix	3.105 (2)	O21—La^vii	4.51 (2)
Nb—Ga3^xx	3.105 (2)	O21—Ga3^xxvi	4.26 (3)
Nb—Ga3^xxi	3.105 (2)	O21—O3^vi	4.56 (3)
O1—Ga2^xxii	1.80 (3)	O21—O2^xli	4.77 (7)
O1—La^xiii	2.449 (10)	O21—O3^xii	4.30 (4)
O1—La^ix	2.449 (10)	O21—Ga2^xxii	4.37 (3)
O1—O21	2.77 (4)	O21—O3^viii	4.62 (4)
O1—O21^ii	2.77 (4)	O21—O1^iv	4.49 (3)
O1—O21^ix	2.77 (4)	O21—Nb^x	4.64 (3)
O1—O2^ix	3.17 (6)	O21—Ga1^x	4.64 (3)
O1—O2	3.17 (6)	O21—O21^xiv	4.48 (3)
O1—O2^ii	3.17 (6)	O21—O21^xxxix	4.48 (3)
O1—O2^xxii	2.97 (6)	O21—Ga2^xxi	4.56 (3)
O1—O2^xix	2.97 (6)	O21—Ga3^xx	4.74 (2)
O1—O2^xxiii	2.97 (6)	O21—O2^xxxix	4.96 (6)
O1—O3^ii	3.05 (3)	O21—O3^ix	4.50 (4)
O1—O3^ix	3.05 (3)	O21—O21^iii	4.83 (6)
O1—O3	3.05 (3)	O21—O3^xliv	4.93 (4)
O1—O21^xxiii	3.16 (4)	O21—O2^xxii	4.71 (6)
O1—O21^xxii	3.16 (4)	O21—O2^i	4.70 (6)
O1—O21^xix	3.16 (4)	O21—O3^v	5.10 (4)
O1—O2^i	3.12 (6)	O21—O21^xxii	5.0070
O1—O2^xxiv	3.12 (6)	O21—O21^x	5.0070
O1—O2^vii	3.12 (6)	O21—O21^v	5.28 (4)
O1—Ga3^xxii	3.543 (16)	O21—O21^vi	5.28 (4)
O1—Ga3^xix	3.543 (16)	O21—O2^xliii	5.03 (6)
O1—Ga3^xiii	3.543 (16)	O21—O21^i	5.02 (3)
O1—O21^i	3.65 (3)	O21—O21^xxv	5.02 (3)
O1—O21^xxiv	3.65 (3)	O21—Ga3^xlii	5.03 (3)
O1—O21^vii	3.65 (3)	O21—O3^xi	4.95 (3)
O1—O3^xiii	4.20 (3)	O21—O2^iii	5.60 (8)
O1—O3^iii	4.20 (3)	O21—O2^x	5.41 (6)
O1—O3^xxv	4.20 (3)	O21—O2^v	5.23 (6)
O1—O21^iii	4.49 (3)	O21—O3^ii	5.13 (4)
O1—O21^xiii	4.49 (3)	O21—O3^xli	5.34 (4)
O1—O21^xxv	4.49 (3)	O21—O3^i	5.18 (4)
O1—Ga3^xxvi	4.50 (2)	O21—O2^xxxvii	4.69 (7)
O1—Ga3^ix	4.50 (2)	O21—Ga2^vii	5.33 (3)
O1—Nb^xvi	4.605 (5)	O21—O2^xxv	5.77 (6)
O1—Ga1^xvi	4.605 (5)	O21—O3^xxxviii	5.40 (4)
O1—Nb^xxvii	4.605 (5)	O21—O3^xiii	5.21 (4)
O1—Ga1^xxvii	4.605 (5)	O21—La^xxvi	5.25 (2)
O1—O3^xxiv	4.70 (3)	O21—La^xxxviii	5.50 (3)
O1—O3^i	4.70 (3)	O21—O21^xxxvii	5.35 (4)
O1—O3^vii	4.70 (3)	O21—O21^xliii	5.35 (4)
O1—O2^xiii	5.28 (6)	O21—O2^vi	5.88 (6)
O1—O2^iii	5.28 (6)	O21—Ga3^iv	5.51 (3)
O1—O2^xxv	5.28 (6)	O21—O3^xxiv	5.34 (4)
O1—La^xxii	4.83 (3)	O3—Ga3^xix	1.79 (3)
O1—La^xxviii	4.83 (3)	O3—O21^iii	2.61 (4)
O1—La^xix	4.83 (3)	O3—Ga3^iv	2.56 (3)
O1—O3^xxix	4.82 (3)	O3—O3^iii	2.57 (4)
O1—O3^xxviii	4.82 (3)	O3—O21^vii	2.72 (3)
O1—O3^xxx	4.82 (3)	O3—O3^vi	2.70 (5)
O1—O1^vii	4.79 (2)	O3—O3^v	2.70 (5)
O1—O1^xiii	4.79 (2)	O3—O21^xxii	2.85 (3)
O1—O1^iv	4.79 (2)	O3—O2^vii	2.77 (5)
O1—Ga2^vii	4.839 (11)	O3—O3^xxix	2.86 (5)
O1—Ga2^iv	4.839 (11)	O3—O2^xxii	2.95 (6)
O1—Ga2^xiii	4.839 (11)	O3—O2^iii	3.27 (7)
O1—O1^x	5.0070	O3—O3^vii	3.10 (5)
O1—O1^xxii	5.0070	O3—O3^xxxiv	3.34 (5)
O1—Ga3^iv	5.196 (11)	O3—Ga2^xxii	3.33 (3)
O1—Ga3^xxxi	5.196 (11)	O3—Ga3^xviii	3.60 (3)
O1—Ga3^xxxii	5.196 (11)	O3—La^ix	3.60 (3)
O1—O3^xxxiii	5.26 (3)	O3—O2^i	3.33 (6)
O1—O3^xxxiv	5.26 (3)	O3—O3^viii	3.86 (5)
O1—O3^xxxv	5.26 (3)	O3—Ga3^ix	3.87 (2)
O1—O3^xxxvi	5.29 (3)	O3—Ga2^iv	3.94 (3)
O1—O3^xxvii	5.29 (3)	O3—O2^xxiii	3.65 (6)
O1—O3^vi	5.29 (3)	O3—O3^xlv	4.06 (5)
O1—O2^xiv	4.89 (6)	O3—O21^i	3.94 (4)
O1—O2^xxxvii	4.89 (6)	O3—Ga1^xxii	4.14 (2)
O1—O2^xxxviii	4.89 (6)	O3—Nb^xxii	4.14 (2)
O1—O3^xi	5.50 (3)	O3—La^vii	4.18 (3)
O1—O3^xii	5.50 (3)	O3—O21^xlvi	4.36 (4)
O1—O3^x	5.50 (3)	O3—O1^iv	4.20 (3)
O1—O21^xxxvii	5.57 (4)	O3—Ga3^xxi	4.28 (2)
O2—Ga3^ix	1.73 (5)	O3—La^xxii	4.34 (2)
O2—La^ix	2.24 (5)	O3—O2^xlvi	4.21 (6)
O2—O2^xxxviii	1.76 (11)	O3—O2^ii	4.31 (5)
O2—O2^ix	3.08 (10)	O3—O21^v	4.56 (3)
O2—O2^ii	3.08 (10)	O3—O21^xxiii	4.30 (4)
O2—O21^ix	2.52 (5)	O3—O21^viii	4.62 (4)
O2—O21^xxxviii	2.43 (7)	O3—Ga2^vii	4.46 (3)
O2—O3^vii	2.77 (5)	O3—La^iv	4.58 (3)
O2—O3^x	2.95 (6)	O3—O21^ii	4.50 (4)
O2—O3^iii	3.27 (7)	O3—O1^vii	4.70 (3)
O2—O1^x	2.97 (6)	O3—O2^v	4.80 (6)
O2—O21^ii	3.22 (6)	O3—O21^xlvii	4.93 (4)
O2—O3	3.74 (6)	O3—Ga3^xxii	4.78 (3)
O2—Ga2^xxxviii	3.01 (6)	O3—O1^xlviii	4.82 (3)
O2—O1^vii	3.12 (6)	O3—O2^viii	4.98 (6)
O2—O3^xxv	3.33 (6)	O3—La^v	4.87 (3)
O2—La^xii	3.39 (6)	O3—O2^xix	5.16 (7)
O2—O21^vii	3.81 (5)	O3—Ga3^xx	4.97 (2)
O2—O2^vii	3.90 (11)	O3—O21^vi	5.10 (4)
O2—Ga3^xxvi	3.80 (5)	O3—O3^x	5.0070
O2—O3^xii	3.65 (6)	O3—O3^xxii	5.0070
O2—La^x	4.26 (6)	O3—O2^xlvii	5.19 (6)
O2—La^xiii	4.40 (5)	O3—O2^xlix	4.95 (7)
O2—Ga3^xxi	4.41 (6)	O3—O21^xix	4.95 (3)
O2—O21^xxxix	3.66 (6)	O3—La^xix	5.12 (2)
O2—O2^xiv	4.16 (4)	O3—O2^iv	5.55 (6)
O2—O2^xxxix	4.16 (4)	O3—O1^xxxiv	5.26 (3)
O2—O3^xl	4.21 (6)	O3—O1^l	5.29 (3)
O2—O3^ix	4.31 (5)	O3—O21^ix	5.13 (4)
O2—O21^xli	4.77 (7)	O3—Ga2^xxi	5.28 (3)
O2—Ga3^xix	4.65 (5)	O3—O21^xli	5.34 (4)
O2—Ga2^xxii	4.77 (5)	O3—O21^xxv	5.18 (4)
O2—La^vii	4.33 (5)	O3—O2^ix	5.65 (6)
O2—O21^xiv	4.96 (6)	O3—O3^ix	5.23 (5)
O2—Nb^x	4.62 (5)	O3—O3^ii	5.23 (5)
O2—Ga1^x	4.62 (5)	O3—O2^xxxviii	5.09 (6)
O2—Ga3^xlii	4.27 (6)	O3—O21^xxxviii	5.40 (4)
O2—O2^xli	5.34 (12)	O3—O2^xli	5.37 (6)
O2—O3^vi	4.80 (6)	O3—O21^iv	5.21 (4)
O2—Ga2^xxi	5.21 (6)	O3—O2^xxv	5.80 (7)
O2—O1^iv	5.28 (6)	O3—O2^vi	5.68 (6)
O2—O3^viii	4.98 (6)	O3—Ga2^li	5.45 (3)
O2—O21^x	4.71 (6)	O3—La^xiii	5.41 (3)

Symmetry codes: (i) −x+1, −x+y, −z; (ii) −y+1, x−y, z; (iii) x−y, −y, −z; (iv) y, x−1, −z; (v) −x+y, −x, z; (vi) −y, x−y, z; (vii) y, x, −z; (viii) −x, −x+y, −z; (ix) −x+y+1, −x+1, z; (x) x, y, z+1; (xi) −y+1, x−y, z+1; (xii) −x+y+1, −x+1, z+1; (xiii) y+1, x, −z; (xiv) −x+1, −x+y, −z+1; (xv) −x+y+1, −x, z+1; (xvi) x+1, y, z; (xvii) x+1, y, z+1; (xviii) x−1, y, z−1; (xix) −x+y+1, −x+1, z−1; (xx) x−1, y, z; (xxi) y, x−1, −z+1; (xxii) x, y, z−1; (xxiii) −y+1, x−y, z−1; (xxiv) x−y+1, −y+1, −z; (xxv) −x+1, −x+y+1, −z; (xxvi) y+1, x, −z+1; (xxvii) x+1, y+1, z; (xxviii) y+1, x, −z−1; (xxix) x−y, −y, −z−1; (xxx) −x+1, −x+y+1, −z−1; (xxxi) −x+y+2, −x+1, z−1; (xxxii) x, y+1, z−1; (xxxiii) −x+1, −x+y, −z−1; (xxxiv) y, x, −z−1; (xxxv) x−y+1, −y+1, −z−1; (xxxvi) −x+y+1, −x, z; (xxxvii) x−y+1, −y+1, −z+1; (xxxviii) y, x, −z+1; (xxxix) −x+1, −x+y+1, −z+1; (xl) −y, x−y, z+1; (xli) x−y, −y, −z+1; (xlii) x, y+1, z; (xliii) x−y, −y+1, −z+1; (xliv) −x+y, −x, z+1; (xlv) −x, −x+y, −z−1; (xlvi) −x+y, −x, z−1; (xlvii) −y, x−y, z−1; (xlviii) y, x−1, −z−1; (xlix) x−y, −y+1, −z; (l) x−1, y−1, z; (li) x−1, y−1, z−1.

(16.7d3)

Crystal data

Ga5.54La3O14Ta0.46	V = 268.3 Å^3
Mr = 1110.22	Z = 1
?, ?	F(000) = 488
a = 7.872 Å	Dx = 6.872 Mg m^−3
b = 7.872 Å	Ag Kα radiation, λ = 0.56000 Å
c = 4.999 Å	µ = 15.88 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.000
Graphite monochromator	θmax = 36.0°, θmin = 2.4°
841 measured reflections	h = −15→15
841 independent reflections	k = −9→9
821 reflections with I > 2σ(I)	l = −8→8

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.087	(Δ/σ)max < 0.001
wR(F^2) = 0.257	Δρmax = 4.59 e Å^−3
S = 1.70	Δρmin = −4.10 e Å^−3
841 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
28 parameters	Extinction coefficient: 0.004 (8)
0 restraints	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: −0.26 (17)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La	0.4382 (3)	0.0000	0.0000	0.0292 (4)
Ga1	0.0000	0.0000	0.0000	0.0313 (6)	0.50
Ta	0.0000	0.0000	0.0000	0.0313 (6)	0.50
Ga2	0.6667	0.3333	−0.5121 (9)	0.0276 (8)
Ga3	0.0000	−0.2340 (4)	−0.5000	0.0252 (5)
O1	0.6667	0.3333	−0.168 (5)	0.023 (3)*
O2	0.154 (5)	−0.294 (6)	−0.309 (8)	0.093 (12)*
O3	0.227 (3)	0.079 (4)	−0.232 (4)	0.056 (5)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La	0.0388 (7)	0.0195 (5)	0.0227 (8)	0.0098 (3)	0.0020 (2)	0.0040 (5)
Ga1	0.0407 (10)	0.0407 (10)	0.0125 (16)	0.0204 (5)	0.000	0.000
Ta	0.0407 (10)	0.0407 (10)	0.0125 (16)	0.0204 (5)	0.000	0.000
Ga2	0.0270 (9)	0.0270 (9)	0.029 (2)	0.0135 (5)	0.000	0.000
Ga3	0.0315 (13)	0.0269 (9)	0.0188 (16)	0.0157 (6)	0.0046 (9)	0.0023 (4)

Geometric parameters (Å, º)

La—O3^i	2.35 (2)	Ta—Ga3^ix	3.1050 (18)
La—O3	2.35 (2)	Ta—Ga3^xii	3.1050 (18)
La—O1^ii	2.472 (9)	Ta—Ga3^x	3.1050 (18)
La—O1	2.472 (9)	Ta—Ga3	3.1051 (18)
La—O2^iii	2.40 (4)	Ta—Ga3^vi	3.1051 (18)
La—O2^iv	2.40 (4)	Ga2—O1	1.72 (3)
La—O2^i	2.75 (4)	Ga2—O2^xiii	1.82 (3)
La—O2	2.75 (4)	Ga2—O2^xiv	1.82 (3)
La—Ga2^v	3.369 (3)	Ga2—O2^xv	1.82 (3)
La—Ga2^vi	3.369 (3)	Ga2—La^xvi	3.369 (3)
La—Ga1	3.450 (2)	Ga2—La^xiii	3.369 (3)
La—Ta	3.450 (2)	Ga2—La^xvii	3.369 (3)
Ga1—O3^vii	1.95 (2)	Ga2—La^xviii	3.457 (3)
Ga1—O3	1.95 (2)	Ga2—La^iv	3.457 (3)
Ga1—O3^viii	1.95 (2)	Ga3—O2^xix	1.78 (3)
Ga1—O3^i	1.95 (2)	Ga3—O2	1.78 (3)
Ga1—O3^ix	1.95 (2)	Ga3—O3^xiv	1.79 (2)
Ga1—O3^x	1.95 (2)	Ga3—O3^vii	1.79 (2)
Ga1—La^ix	3.450 (2)	Ga3—Ta^xvii	3.1050 (18)
Ga1—La^vii	3.450 (2)	Ga3—La^ii	3.592 (3)
Ta—O3^vii	1.95 (2)	Ga3—La^v	3.592 (3)
Ta—O3	1.95 (2)	O1—La^xviii	2.472 (9)
Ta—O3^viii	1.95 (2)	O1—La^iv	2.472 (9)
Ta—O3^i	1.95 (2)	O2—Ga2^v	1.82 (3)
Ta—O3^ix	1.95 (2)	O2—La^ii	2.40 (4)
Ta—O3^x	1.95 (2)	O3—Ga3^x	1.79 (2)
Ta—Ga3^xi	3.1050 (18)
O3^i—La—O3	65.9 (11)	O3^vii—Ta—Ga3^xii	55.9 (7)
O3^i—La—O1^ii	77.7 (6)	O3—Ta—Ga3^xii	88.3 (7)
O3—La—O1^ii	122.9 (6)	O3^viii—Ta—Ga3^xii	96.5 (7)
O3^i—La—O1	122.9 (6)	O3^i—Ta—Ga3^xii	157.9 (7)
O3—La—O1	77.7 (6)	O3^ix—Ta—Ga3^xii	113.3 (7)
O1^ii—La—O1	157.30 (12)	O3^x—Ta—Ga3^xii	32.4 (7)
O3^i—La—O2^iii	138.1 (9)	Ga3^xi—Ta—Ga3^xii	145.49 (4)
O3—La—O2^iii	107.9 (12)	Ga3^ix—Ta—Ga3^xii	107.22 (9)
O1^ii—La—O2^iii	72.1 (8)	O3^vii—Ta—Ga3^x	88.3 (7)
O1—La—O2^iii	93.5 (7)	O3—Ta—Ga3^x	32.4 (7)
O3^i—La—O2^iv	107.9 (12)	O3^viii—Ta—Ga3^x	157.9 (7)
O3—La—O2^iv	138.1 (9)	O3^i—Ta—Ga3^x	113.3 (7)
O1^ii—La—O2^iv	93.5 (7)	O3^ix—Ta—Ga3^x	96.5 (7)
O1—La—O2^iv	72.1 (8)	O3^x—Ta—Ga3^x	55.9 (7)
O2^iii—La—O2^iv	102.4 (17)	Ga3^xi—Ta—Ga3^x	107.22 (9)
O3^i—La—O2^i	63.9 (10)	Ga3^ix—Ta—Ga3^x	145.49 (4)
O3—La—O2^i	77.4 (11)	Ga3^xii—Ta—Ga3^x	61.84 (7)
O1^ii—La—O2^i	123.8 (10)	O3^vii—Ta—Ga3	32.4 (7)
O1—La—O2^i	66.3 (9)	O3—Ta—Ga3	55.9 (7)
O2^iii—La—O2^i	158.0 (7)	O3^viii—Ta—Ga3	113.3 (7)
O2^iv—La—O2^i	64.2 (15)	O3^i—Ta—Ga3	96.5 (7)
O3^i—La—O2	77.4 (11)	O3^ix—Ta—Ga3	157.9 (7)
O3—La—O2	63.9 (10)	O3^x—Ta—Ga3	88.3 (7)
O1^ii—La—O2	66.3 (9)	Ga3^xi—Ta—Ga3	145.49 (4)
O1—La—O2	123.8 (10)	Ga3^ix—Ta—Ga3	145.49 (4)
O2^iii—La—O2	64.2 (15)	Ga3^xii—Ta—Ga3	61.84 (7)
O2^iv—La—O2	158.0 (7)	Ga3^x—Ta—Ga3	61.84 (7)
O2^i—La—O2	133.8 (13)	O3^vii—Ta—Ga3^vi	96.5 (7)
O3^i—La—Ga2^v	108.9 (6)	O3—Ta—Ga3^vi	113.3 (7)
O3—La—Ga2^v	85.3 (6)	O3^viii—Ta—Ga3^vi	55.9 (7)
O1^ii—La—Ga2^v	66.3 (6)	O3^i—Ta—Ga3^vi	32.4 (7)
O1—La—Ga2^v	110.2 (5)	O3^ix—Ta—Ga3^vi	88.3 (7)
O2^iii—La—Ga2^v	31.5 (8)	O3^x—Ta—Ga3^vi	157.9 (7)
O2^iv—La—Ga2^v	132.2 (8)	Ga3^xi—Ta—Ga3^vi	61.84 (7)
O2^i—La—Ga2^v	162.6 (8)	Ga3^ix—Ta—Ga3^vi	61.84 (7)
O2—La—Ga2^v	32.7 (7)	Ga3^xii—Ta—Ga3^vi	145.49 (4)
O3^i—La—Ga2^vi	85.3 (6)	Ga3^x—Ta—Ga3^vi	145.49 (4)
O3—La—Ga2^vi	108.9 (6)	Ga3—Ta—Ga3^vi	107.22 (9)
O1^ii—La—Ga2^vi	110.2 (5)	O1—Ga2—O2^xiii	119.4 (12)
O1—La—Ga2^vi	66.3 (6)	O1—Ga2—O2^xiv	119.4 (12)
O2^iii—La—Ga2^vi	132.2 (8)	O2^xiii—Ga2—O2^xiv	97.9 (16)
O2^iv—La—Ga2^vi	31.5 (8)	O1—Ga2—O2^xv	119.4 (12)
O2^i—La—Ga2^vi	32.7 (7)	O2^xiii—Ga2—O2^xv	97.9 (16)
O2—La—Ga2^vi	162.6 (8)	O2^xiv—Ga2—O2^xv	97.9 (16)
Ga2^v—La—Ga2^vi	163.40 (7)	O1—Ga2—La^xvi	136.39 (6)
O3^i—La—Ga1	33.0 (5)	O2^xiii—Ga2—La^xvi	103.8 (13)
O3—La—Ga1	33.0 (5)	O2^xiv—Ga2—La^xvi	43.3 (14)
O1^ii—La—Ga1	101.35 (6)	O2^xv—Ga2—La^xvi	54.6 (11)
O1—La—Ga1	101.35 (6)	O1—Ga2—La^xiii	136.38 (6)
O2^iii—La—Ga1	128.8 (9)	O2^xiii—Ga2—La^xiii	54.6 (11)
O2^iv—La—Ga1	128.8 (9)	O2^xiv—Ga2—La^xiii	103.8 (13)
O2^i—La—Ga1	66.9 (7)	O2^xv—Ga2—La^xiii	43.3 (14)
O2—La—Ga1	66.9 (7)	La^xvi—Ga2—La^xiii	73.37 (9)
Ga2^v—La—Ga1	98.30 (3)	O1—Ga2—La^xvii	136.38 (6)
Ga2^vi—La—Ga1	98.30 (3)	O2^xiii—Ga2—La^xvii	43.3 (14)
O3^i—La—Ta	33.0 (5)	O2^xiv—Ga2—La^xvii	54.6 (11)
O3—La—Ta	33.0 (5)	O2^xv—Ga2—La^xvii	103.8 (13)
O1^ii—La—Ta	101.35 (6)	La^xvi—Ga2—La^xvii	73.37 (9)
O1—La—Ta	101.35 (6)	La^xiii—Ga2—La^xvii	73.37 (9)
O2^iii—La—Ta	128.8 (9)	O1—Ga2—La^xviii	42.23 (5)
O2^iv—La—Ta	128.8 (9)	O2^xiii—Ga2—La^xviii	160.6 (12)
O2^i—La—Ta	66.9 (7)	O2^xiv—Ga2—La^xviii	90.1 (11)
O2—La—Ta	66.9 (7)	O2^xv—Ga2—La^xviii	98.4 (14)
Ga2^v—La—Ta	98.30 (3)	La^xvi—Ga2—La^xviii	94.152 (11)
Ga2^vi—La—Ta	98.30 (3)	La^xiii—Ga2—La^xviii	140.165 (6)
Ga1—La—Ta	0.0	La^xvii—Ga2—La^xviii	140.164 (6)
O3^vii—Ga1—O3	88.3 (9)	O1—Ga2—La	42.23 (5)
O3^vii—Ga1—O3^viii	81.8 (14)	O2^xiii—Ga2—La	90.1 (11)
O3—Ga1—O3^viii	164.0 (15)	O2^xiv—Ga2—La	98.4 (13)
O3^vii—Ga1—O3^i	103.9 (14)	O2^xv—Ga2—La	160.6 (12)
O3—Ga1—O3^i	81.8 (14)	La^xvi—Ga2—La	140.164 (6)
O3^viii—Ga1—O3^i	88.3 (9)	La^xiii—Ga2—La	140.163 (6)
O3^vii—Ga1—O3^ix	164.0 (15)	La^xvii—Ga2—La	94.152 (11)
O3—Ga1—O3^ix	103.9 (14)	La^xviii—Ga2—La	71.20 (8)
O3^viii—Ga1—O3^ix	88.3 (9)	O1—Ga2—La^iv	42.23 (5)
O3^i—Ga1—O3^ix	88.3 (9)	O2^xiii—Ga2—La^iv	98.4 (13)
O3^vii—Ga1—O3^x	88.3 (9)	O2^xiv—Ga2—La^iv	160.6 (12)
O3—Ga1—O3^x	88.3 (9)	O2^xv—Ga2—La^iv	90.1 (11)
O3^viii—Ga1—O3^x	103.9 (14)	La^xvi—Ga2—La^iv	140.165 (6)
O3^i—Ga1—O3^x	164.0 (15)	La^xiii—Ga2—La^iv	94.152 (11)
O3^ix—Ga1—O3^x	81.8 (14)	La^xvii—Ga2—La^iv	140.163 (6)
O3^vii—Ga1—La^ix	128.0 (7)	La^xviii—Ga2—La^iv	71.20 (8)
O3—Ga1—La^ix	98.0 (7)	La—Ga2—La^iv	71.20 (8)
O3^viii—Ga1—La^ix	98.0 (7)	O2^xix—Ga3—O2	106 (3)
O3^i—Ga1—La^ix	128.0 (7)	O2^xix—Ga3—O3^xiv	98.4 (17)
O3^ix—Ga1—La^ix	40.9 (7)	O2—Ga3—O3^xiv	106.5 (17)
O3^x—Ga1—La^ix	40.9 (7)	O2^xix—Ga3—O3^vii	106.5 (17)
O3^vii—Ga1—La^vii	40.9 (7)	O2—Ga3—O3^vii	98.4 (17)
O3—Ga1—La^vii	128.0 (7)	O3^xiv—Ga3—O3^vii	138.3 (15)
O3^viii—Ga1—La^vii	40.9 (7)	O2^xix—Ga3—Ta^xvii	85.8 (13)
O3^i—Ga1—La^vii	98.0 (7)	O2—Ga3—Ta^xvii	142.2 (14)
O3^ix—Ga1—La^vii	128.0 (7)	O3^xiv—Ga3—Ta^xvii	35.8 (7)
O3^x—Ga1—La^vii	98.0 (7)	O3^vii—Ga3—Ta^xvii	112.9 (8)
La^ix—Ga1—La^vii	120.0	O2^xix—Ga3—Ta	142.2 (14)
O3^vii—Ga1—La	98.0 (7)	O2—Ga3—Ta	85.8 (13)
O3—Ga1—La	40.9 (7)	O3^xiv—Ga3—Ta	112.9 (8)
O3^viii—Ga1—La	128.0 (7)	O3^vii—Ga3—Ta	35.8 (7)
O3^i—Ga1—La	40.9 (7)	Ta^xvii—Ga3—Ta	107.22 (9)
O3^ix—Ga1—La	98.0 (7)	O2^xix—Ga3—La^ii	86.5 (13)
O3^x—Ga1—La	128.0 (7)	O2—Ga3—La^ii	36.1 (14)
La^ix—Ga1—La	120.0	O3^xiv—Ga3—La^ii	140.8 (7)
La^vii—Ga1—La	120.0	O3^vii—Ga3—La^ii	74.7 (7)
O3^vii—Ta—O3	88.3 (9)	Ta^xvii—Ga3—La^ii	170.48 (8)
O3^vii—Ta—O3^viii	81.8 (14)	Ta—Ga3—La^ii	82.30 (2)
O3—Ta—O3^viii	164.0 (15)	O2^xix—Ga3—La^v	36.1 (14)
O3^vii—Ta—O3^i	103.9 (14)	O2—Ga3—La^v	86.5 (13)
O3—Ta—O3^i	81.8 (14)	O3^xiv—Ga3—La^v	74.7 (7)
O3^viii—Ta—O3^i	88.3 (9)	O3^vii—Ga3—La^v	140.8 (7)
O3^vii—Ta—O3^ix	164.0 (15)	Ta^xvii—Ga3—La^v	82.30 (3)
O3—Ta—O3^ix	103.9 (14)	Ta—Ga3—La^v	170.48 (8)
O3^viii—Ta—O3^ix	88.3 (9)	La^ii—Ga3—La^v	88.18 (8)
O3^i—Ta—O3^ix	88.3 (9)	Ga2—O1—La^xviii	109.9 (6)
O3^vii—Ta—O3^x	88.3 (9)	Ga2—O1—La	109.9 (6)
O3—Ta—O3^x	88.3 (9)	La^xviii—O1—La	109.0 (6)
O3^viii—Ta—O3^x	103.9 (14)	Ga2—O1—La^iv	109.9 (6)
O3^i—Ta—O3^x	164.0 (15)	La^xviii—O1—La^iv	109.0 (6)
O3^ix—Ta—O3^x	81.8 (14)	La—O1—La^iv	109.0 (6)
O3^vii—Ta—Ga3^xi	157.9 (7)	Ga3—O2—Ga2^v	118 (2)
O3—Ta—Ga3^xi	96.5 (7)	Ga3—O2—La^ii	117.8 (17)
O3^viii—Ta—Ga3^xi	88.3 (7)	Ga2^v—O2—La^ii	105.2 (17)
O3^i—Ta—Ga3^xi	55.9 (7)	Ga3—O2—La	116.9 (18)
O3^ix—Ta—Ga3^xi	32.4 (7)	Ga2^v—O2—La	92.6 (12)
O3^x—Ta—Ga3^xi	113.3 (7)	La^ii—O2—La	102.7 (14)
O3^vii—Ta—Ga3^ix	113.3 (7)	Ga3^x—O3—Ta	111.8 (12)
O3—Ta—Ga3^ix	157.9 (7)	Ga3^x—O3—Ga1	111.8 (12)
O3^viii—Ta—Ga3^ix	32.4 (7)	Ta—O3—Ga1	0.0
O3^i—Ta—Ga3^ix	88.3 (7)	Ga3^x—O3—La	139.7 (12)
O3^ix—Ta—Ga3^ix	55.9 (7)	Ta—O3—La	106.1 (10)
O3^x—Ta—Ga3^ix	96.5 (7)	Ga1—O3—La	106.1 (10)
Ga3^xi—Ta—Ga3^ix	61.84 (7)

Symmetry codes: (i) x−y, −y, −z; (ii) y, x−1, −z; (iii) −x+y+1, −x, z; (iv) y+1, x, −z; (v) y, x−1, −z−1; (vi) x, y, z+1; (vii) −x+y, −x, z; (viii) −x, −x+y, −z; (ix) y, x, −z; (x) −y, x−y, z; (xi) −y, x−y, z+1; (xii) y, x, −z−1; (xiii) y+1, x, −z−1; (xiv) x−y, −y, −z−1; (xv) −x+1, −x+y+1, −z−1; (xvi) −x+y+1, −x+1, z−1; (xvii) x, y, z−1; (xviii) −x+y+1, −x+1, z; (xix) −x, −x+y, −z−1.

(16.7d3a2zw)

Crystal data

Ga11La6O28Ta	V = 536.6 Å^3
Mr = 2229.33	Z = 1
?, ?	F(000) = 980
a = 4.999 Å	Dx = 6.899 Mg m^−3
b = 7.872 Å	Ag Kα radiation, λ = 0.56000 Å
c = 13.635 Å	µ = 16.05 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 90°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.041
Graphite monochromator	θmax = 37.3°, θmin = 2.4°
1659 measured reflections	h = −8→8
1265 independent reflections	k = −15→15
1207 reflections with I > 2σ(I)	l = −21→22

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.071	(Δ/σ)max = 0.530
wR(F^2) = 0.212	Δρmax = 2.41 e Å^−3
S = 1.50	Δρmin = −2.24 e Å^−3
1265 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
75 parameters	Extinction coefficient: 0.0015 (13)
1 restraint	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: −0.17 (13)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La1	−0.0046 (12)	0.2188 (3)	0.7798 (3)	0.0321 (9)
La2	0.0000	0.5633 (6)	0.0000	0.0283 (11)
Ga1	0.0000	0.0046 (11)	0.0000	0.0351 (11)	0.50
Ta	0.0000	0.0046 (11)	0.0000	0.0351 (11)	0.50
Ga2	0.5128 (8)	0.4999 (9)	0.1655 (7)	0.0312 (12)
Ga3	0.5000	0.2305 (12)	0.0000	0.027 (2)
Ga4	0.500 (2)	0.3840 (11)	0.6185 (7)	0.0261 (14)
O1	0.169 (4)	0.510 (6)	0.164 (4)	0.020 (4)*
O2	0.385 (8)	0.842 (4)	0.244 (3)	0.028 (5)*
O3	0.648 (14)	0.356 (9)	0.078 (6)	0.060 (17)*
O4	0.716 (15)	0.692 (6)	0.138 (5)	0.041 (12)*
O5	0.226 (10)	0.153 (5)	0.081 (4)	0.034 (8)*
O6	0.810 (14)	0.009 (7)	0.129 (4)	0.048 (11)*
O7	0.270 (10)	0.825 (5)	0.025 (3)	0.033 (7)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La1	0.0280 (18)	0.0182 (11)	0.050 (3)	0.0019 (10)	0.0085 (18)	−0.0070 (10)
La2	0.016 (3)	0.040 (2)	0.029 (3)	0.000	0.002 (2)	0.000
Ga1	0.0154 (17)	0.030 (2)	0.061 (5)	0.000	0.003 (3)	0.000
Ta	0.0154 (17)	0.030 (2)	0.061 (5)	0.000	0.003 (3)	0.000
Ga2	0.027 (2)	0.017 (2)	0.049 (5)	−0.006 (2)	−0.002 (3)	0.009 (3)
Ga3	0.038 (6)	0.020 (3)	0.024 (5)	0.000	−0.016 (4)	0.000
Ga4	0.010 (3)	0.031 (3)	0.038 (4)	−0.0087 (19)	−0.006 (3)	0.001 (2)

Bond lengths (Å)

La1—O6^i	2.28 (6)	O2—La1^xix	3.24 (4)
La1—O5^ii	2.25 (5)	O2—O6^xxiv	3.29 (6)
La1—O4^iii	2.39 (8)	O2—O4^ix	3.83 (9)
La1—O1^iv	2.44 (6)	O2—Ga3^x	4.56 (3)
La1—O1^ii	2.55 (4)	O2—O5^xxiv	3.42 (7)
La1—O2^iv	2.23 (4)	O2—La1^xxxiii	4.30 (4)
La1—O3^i	2.84 (8)	O2—Ga3^xxii	3.64 (4)
La1—O2^v	3.54 (4)	O2—O7^viii	4.05 (6)
La1—Ga2^iii	3.349 (9)	O2—O2^xvi	4.10 (2)
La1—Ga2^i	3.390 (8)	O2—O2^xxiv	4.10 (2)
La1—Ta^vi	3.443 (6)	O2—La2^xxii	4.35 (4)
La1—Ga1^vi	3.443 (6)	O2—Ga4^xxxiii	4.70 (3)
La2—O7	2.49 (4)	O2—Ga1^xxxiv	4.71 (4)
La2—O7^vii	2.49 (4)	O2—Ta^xxxiv	4.71 (4)
La2—O3^viii	2.63 (7)	O2—O3^x	4.82 (9)
La2—O3^ix	2.63 (7)	O2—Ga4^xxvi	4.76 (4)
La2—O1	2.42 (5)	O2—O5^xxv	4.15 (6)
La2—O1^vii	2.42 (5)	O2—Ga4^xxiv	4.99 (4)
La2—O4^viii	2.57 (6)	O2—O7^vii	4.92 (6)
La2—O4^ix	2.57 (6)	O2—Ga2^xxv	4.82 (4)
La2—Ga2^viii	3.358 (7)	O2—O6^xxxv	5.35 (7)
La2—Ga2^ix	3.358 (7)	O2—Ga2^x	5.33 (3)
La2—Ta^x	3.474 (11)	O2—Ga4^i	4.10 (3)
La2—Ga1^x	3.474 (11)	O2—O1^x	5.48 (6)
Ga1—O6^viii	2.00 (5)	O2—O5^xxxv	5.43 (6)
Ga1—O6^ix	2.00 (5)	O2—O3	4.63 (8)
Ga1—O7^xi	1.98 (4)	O2—O2^ix	4.9990 (3)
Ga1—O7^xii	1.98 (4)	O2—O2^xviii	4.9990 (3)
Ga1—O5	1.97 (5)	O2—O7^xxiv	5.23 (5)
Ga1—O5^vii	1.97 (5)	O2—O7^xviii	5.34 (6)
Ga1—La2^xi	3.474 (11)	O2—La2^xxiii	4.97 (4)
Ga1—La1^ii	3.443 (6)	O2—La2^xviii	5.03 (4)
Ga1—La1^xiii	3.443 (6)	O2—O3^xxii	4.74 (9)
Ga1—O3^viii	3.45 (8)	O2—O1^xviii	4.84 (5)
Ga1—O3^ix	3.45 (8)	O2—O3^xxvii	5.92 (9)
Ga1—O2^xi	4.05 (4)	O2—Ga1^xxii	4.79 (3)
Ta—O6^viii	2.00 (5)	O2—Ta^xxii	4.79 (3)
Ta—O6^ix	2.00 (5)	O2—Ga2^ix	5.24 (4)
Ta—O7^xi	1.98 (4)	O2—O2^xv	5.51 (6)
Ta—O7^xii	1.98 (4)	O2—O2^xxv	5.51 (6)
Ta—O5	1.97 (5)	O2—O3^xxxv	5.98 (8)
Ta—O5^vii	1.97 (5)	O2—O3^xxxvi	5.41 (7)
Ta—Ga4^xiv	3.122 (10)	O2—O3^ix	5.77 (8)
Ta—Ga4^xv	3.122 (10)	O2—La1^ii	5.27 (3)
Ta—Ga3	3.067 (8)	O2—O3^viii	5.83 (9)
Ta—Ga3^ix	3.067 (8)	O2—O3^xxxii	5.86 (9)
Ta—Ga4^xvi	3.125 (9)	O2—O3^xxv	5.70 (8)
Ta—Ga4^xvii	3.126 (9)	O2—O2^viii	6.75 (7)
Ga2—O1	1.72 (2)	O2—La2^x	6.86 (3)
Ga2—O4	1.86 (6)	O2—O1^xxxiv	6.65 (5)
Ga2—O3	1.78 (8)	O2—O1^xxii	5.97 (6)
Ga2—O2^xvi	1.82 (4)	O2—La1^i	5.81 (4)
Ga2—O1^xviii	3.28 (2)	O2—O1^viii	6.54 (6)
Ga2—La2^xviii	3.358 (7)	O2—O1^vii	6.74 (6)
Ga2—La1^xix	3.349 (9)	O2—O1^ix	6.71 (5)
Ga2—La1^i	3.390 (8)	O2—O2^vii	7.69 (8)
Ga2—O2	2.97 (3)	O2—O3^xxxvii	7.68 (9)
Ga2—La1^ii	3.450 (7)	O2—O1^xxiii	7.06 (6)
Ga2—La1^xx	3.477 (8)	O2—O1^xxxv	7.97 (7)
Ga3—O5^viii	1.87 (5)	O2—O1^xxxviii	8.13 (7)
Ga3—O5	1.87 (5)	O2—O3^xxxi	7.57 (8)
Ga3—O3	1.63 (6)	O2—O3^xxxviii	7.90 (7)
Ga3—O3^viii	1.63 (6)	O3—La2^xviii	2.63 (7)
Ga3—Ta^xviii	3.067 (8)	O3—O4	2.79 (8)
Ga3—O1	3.54 (5)	O3—O6	2.94 (10)
Ga3—O1^viii	3.54 (5)	O3—La1^i	2.84 (8)
Ga3—La2^xviii	3.621 (8)	O3—O5^viii	2.77 (9)
Ga3—O2^xxi	4.56 (3)	O3—O1^xviii	3.10 (7)
Ga3—O2^xi	4.56 (3)	O3—O2^xvi	2.43 (8)
Ga4—O2^iv	1.84 (3)	O3—O5	2.65 (8)
Ga4—O7^iv	1.78 (5)	O3—O3^viii	2.60 (14)
Ga4—O4^iv	1.88 (6)	O3—O5^xviii	3.30 (9)
Ga4—O6^xxii	1.84 (7)	O3—Ta^xviii	3.45 (8)
Ga4—Ta^xxii	3.122 (10)	O3—Ga1^xviii	3.45 (8)
Ga4—Ta^xxiii	3.126 (9)	O3—O1^viii	3.63 (10)
Ga4—O1^iv	3.44 (4)	O3—Ga2^viii	3.60 (8)
Ga4—O1^i	3.54 (5)	O3—O3^xxxi	4.12 (15)
Ga4—La1^xviii	3.560 (10)	O3—O7^viii	3.97 (8)
Ga4—O3^xxii	3.83 (7)	O3—Ga4^xiv	3.83 (7)
Ga4—O3^iv	4.26 (7)	O3—La1^xix	4.33 (7)
O1—La1^xx	2.44 (6)	O3—La1^ii	3.90 (7)
O1—La1^ii	2.55 (4)	O3—Ga4^xx	4.26 (7)
O1—O4^ix	2.70 (8)	O3—O7	4.21 (9)
O1—O3^ix	3.10 (7)	O3—Ga4^i	4.21 (8)
O1—O7	3.16 (6)	O3—Ga3^xviii	4.50 (8)
O1—O2^xvi	2.88 (5)	O3—Ga2^xviii	4.63 (7)
O1—O6^xxiv	2.83 (8)	O3—O4^viii	4.37 (13)
O1—O5	3.04 (7)	O3—O7^xviii	4.88 (7)
O1—O2^xv	3.32 (5)	O3—O2^xi	4.82 (9)
O1—O4	3.11 (8)	O3—O6^viii	4.55 (9)
O1—O3	2.92 (9)	O3—La1^xxxix	4.55 (8)
O1—Ga2^ix	3.28 (2)	O3—O6^xxxi	4.78 (10)
O1—O2	3.04 (6)	O3—O4^xvi	4.46 (12)
O1—Ga4^xx	3.44 (4)	O3—O1^xvi	4.55 (10)
O1—O3^viii	3.63 (10)	O3—Ga2^xvi	4.55 (8)
O1—Ga4^i	3.54 (5)	O3—O7^xxi	4.43 (8)
O1—O4^xvi	3.72 (7)	O3—Ga4^xvi	4.64 (7)
O1—O6^ix	4.36 (8)	O3—Ga4^xxiv	5.00 (8)
O1—O7^vii	4.19 (6)	O3—O4^xxxi	5.08 (10)
O1—O5^xxv	4.15 (7)	O3—O6^xxiv	4.75 (10)
O1—O4^viii	4.40 (8)	O3—O3^ix	4.9990 (2)
O1—Ga4^xxvi	4.50 (4)	O3—O3^xviii	4.9990 (2)
O1—Ga3^ix	4.58 (5)	O3—O7^xi	4.64 (7)
O1—Ga4^ii	4.58 (4)	O3—O6^xxxvi	4.97 (10)
O1—Ga1^x	4.57 (5)	O3—O4^xl	5.17 (13)
O1—Ta^x	4.57 (5)	O3—O2^xiv	4.74 (9)
O1—O3^xxiv	4.55 (10)	O3—La1^xx	5.13 (8)
O1—Ta^xxii	4.66 (6)	O3—O2^xli	5.92 (9)
O1—Ga1^xxii	4.66 (6)	O3—Ga2^xxxi	5.47 (8)
O1—O6^xxvii	4.34 (7)	O3—Ta^xxxiv	5.51 (7)
O1—O7^xv	5.00 (7)	O3—Ga1^xxxiv	5.51 (7)
O1—O5^xxiv	4.75 (7)	O3—O2^xxi	5.98 (8)
O1—O5^vii	4.79 (7)	O3—La1^xiii	5.32 (7)
O1—O1^vii	4.77 (11)	O3—O2^xl	5.41 (7)
O1—La2^xviii	4.74 (3)	O3—O1^vii	5.38 (9)
O1—La1^xix	4.72 (4)	O3—Ga4^xlii	5.68 (8)
O1—O2^xi	5.48 (6)	O3—O2^xviii	5.77 (8)
O1—Ga2^viii	4.76 (6)	O3—Ga4^xix	5.98 (6)
O1—La1^i	4.83 (3)	O3—La1^xxiv	5.93 (8)
O1—O7^viii	4.54 (6)	O3—O2^viii	5.83 (9)
O1—O1^xv	4.89 (6)	O3—O2^xlii	5.86 (9)
O1—O1^xxv	4.89 (6)	O3—O2^xv	5.70 (8)
O1—Ga2^xxiv	4.78 (6)	O3—La1^xlii	5.98 (8)
O1—Ga2^xvi	4.91 (5)	O3—O1^xxiv	6.30 (8)
O1—O6	5.10 (7)	O3—O1^xv	6.04 (8)
O1—O1^xviii	4.9990 (3)	O3—O3^xxiv	6.29 (12)
O1—O1^ix	4.9990 (2)	O3—O3^xvi	6.29 (12)
O1—Ga4^xxiv	5.12 (5)	O3—O1^xlii	6.80 (10)
O1—Ga4^xiv	5.23 (5)	O3—O3^xxxvi	7.06 (12)
O1—Ga3^xxii	5.18 (6)	O3—O3^xl	7.06 (12)
O1—O2^ix	4.84 (5)	O3—O1^xiv	6.72 (9)
O1—O3^vii	5.38 (9)	O3—O2^xliii	7.68 (9)
O1—Ga2^vii	5.64 (5)	O3—O3^vii	6.82 (14)
O1—O1^viii	5.56 (9)	O3—O1^xli	7.25 (9)
O1—Ga2^xxv	5.65 (5)	O3—O1^xxv	7.45 (8)
O1—Ga2^xv	5.76 (4)	O4—Ga4^xx	1.88 (6)
O1—O1^xvi	5.66 (6)	O4—La1^xix	2.39 (8)
O1—O1^xxiv	5.66 (6)	O4—La2^xviii	2.57 (6)
O1—La1^xiii	5.78 (6)	O4—O1^xviii	2.70 (8)
O1—La1^xxviii	5.70 (5)	O4—O2^xvi	3.23 (6)
O1—La2^iv	5.84 (5)	O4—O1^xxiv	3.72 (7)
O1—O3^xvi	6.30 (8)	O4—O2^xviii	3.83 (9)
O1—O2^xxix	6.65 (5)	O4—O3^viii	4.37 (13)
O1—O2^xiv	5.97 (6)	O5—La1^ii	2.25 (5)
O1—La2^ix	6.27 (3)	O5—O2^xi	3.40 (6)
O1—La1^xxx	6.30 (3)	O5—O3^viii	2.77 (9)
O1—La1^xxvi	6.30 (3)	O5—O3^ix	3.30 (9)
O1—O3^xxv	6.04 (8)	O5—O2^xvi	3.42 (7)
O1—La1^xxv	6.32 (5)	O5—O1^xv	4.15 (7)
O1—O2^viii	6.54 (6)	O5—O2^xv	4.15 (6)
O1—O2^vii	6.74 (6)	O6—Ga4^xiv	1.84 (7)
O1—O3^xxxi	6.88 (7)	O6—Ta^xviii	2.00 (5)
O1—O3^xxxii	6.80 (10)	O6—Ga1^xviii	2.00 (5)
O1—O2^xviii	6.71 (5)	O6—La1^i	2.28 (6)
O1—O3^xxii	6.72 (9)	O6—O2^xi	2.95 (7)
O2—Ga4^xx	1.84 (3)	O6—O1^xvi	2.83 (8)
O2—Ga2^xxiv	1.82 (4)	O6—O2^xli	3.52 (8)
O2—La1^xx	2.23 (4)	O6—O2^xvi	3.29 (6)
O2—O7	3.05 (6)	O6—O1^xviii	4.36 (8)
O2—O4	2.49 (7)	O6—O3^viii	4.55 (9)
O2—O5^x	3.40 (6)	O6—O3^xxxi	4.78 (10)
O2—O6^x	2.95 (7)	O7—Ga4^xx	1.78 (5)
O2—O3^xxiv	2.43 (8)	O7—Ta^x	1.98 (4)
O2—O4^xxiv	3.23 (6)	O7—Ga1^x	1.98 (4)
O2—La1^xxviii	3.54 (4)	O7—O3^viii	3.97 (8)
O2—O1^xxiv	2.88 (5)	O7—O1^vii	4.19 (6)
O2—O1^xxv	3.32 (5)	O7—O2^viii	4.05 (6)
O2—O6^xxvii	3.52 (8)	O7—O3^ix	4.88 (7)
O2—Ta^x	4.05 (4)	O7—O2^vii	4.92 (6)
O2—Ga1^x	4.05 (4)

Symmetry codes: (i) −x+1, y, −z+1; (ii) −x, y, −z+1; (iii) x−1, y−1/2, z+1/2; (iv) x, y−1/2, z+1/2; (v) −x, y−1, −z+1; (vi) x, y, z+1; (vii) −x, y, −z; (viii) −x+1, y, −z; (ix) x−1, y, z; (x) x, y+1, z; (xi) x, y−1, z; (xii) −x, y−1, −z; (xiii) x, y, z−1; (xiv) x, y−1/2, z−1/2; (xv) −x, y−1/2, −z+1/2; (xvi) −x+1, y−1/2, −z+1/2; (xvii) x−1, y−1/2, z−1/2; (xviii) x+1, y, z; (xix) x+1, y+1/2, z−1/2; (xx) x, y+1/2, z−1/2; (xxi) −x+1, y−1, −z; (xxii) x, y+1/2, z+1/2; (xxiii) x+1, y+1/2, z+1/2; (xxiv) −x+1, y+1/2, −z+1/2; (xxv) −x, y+1/2, −z+1/2; (xxvi) x−1, y+1/2, z−1/2; (xxvii) x−1, y+1, z; (xxviii) −x, y+1, −z+1; (xxix) x−1, y−1, z; (xxx) −x−1, y, −z+1; (xxxi) −x+2, y, −z; (xxxii) x−1, y+1/2, z+1/2; (xxxiii) −x+1, y+1, −z+1; (xxxiv) x+1, y+1, z; (xxxv) −x+1, y+1, −z; (xxxvi) −x+2, y+1/2, −z+1/2; (xxxvii) −x+2, y+1, −z; (xxxviii) −x, y+1, −z; (xxxix) x+1, y, z−1; (xl) −x+2, y−1/2, −z+1/2; (xli) x+1, y−1, z; (xlii) x+1, y−1/2, z−1/2; (xliii) −x+2, y−1, −z.

(16.7d3split)

Crystal data

Ga5.54La3O14Ta0.46	V = 268.3 Å^3
Mr = 1110.22	Z = 1
?, ?	F(000) = 488
a = 7.872 Å	Dx = 6.872 Mg m^−3
b = 7.872 Å	Ag Kα radiation, λ = 0.56000 Å
c = 4.999 Å	µ = 15.88 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.000
Graphite monochromator	θmax = 36.0°, θmin = 2.4°
841 measured reflections	h = −15→15
841 independent reflections	k = −9→9
821 reflections with I > 2σ(I)	l = −8→8

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.083	(Δ/σ)max < 0.001
wR(F^2) = 0.249	Δρmax = 4.43 e Å^−3
S = 1.64	Δρmin = −4.20 e Å^−3
841 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
33 parameters	Extinction coefficient: 0.003 (8)
0 restraints	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: −0.22 (16)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La	0.4382 (3)	0.0000	0.0000	0.0291 (4)
Ga1	0.0000	0.0000	0.0000	0.0313 (6)	0.50
Ta	0.0000	0.0000	0.0000	0.0313 (6)	0.50
Ga2	0.6667	0.3333	−0.5121 (9)	0.0275 (7)
Ga3	0.0000	−0.2340 (4)	−0.5000	0.0253 (5)
O1	0.6667	0.3333	−0.167 (5)	0.025 (3)*
O2	0.169 (4)	−0.279 (5)	−0.291 (7)	0.048 (8)*	0.70 (4)
O21	0.093 (5)	−0.400 (5)	−0.384 (8)	0.019 (7)*	0.30 (4)
O3	0.227 (4)	0.076 (4)	−0.242 (4)	0.061 (6)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La	0.0386 (6)	0.0198 (5)	0.0226 (8)	0.0099 (3)	0.0019 (2)	0.0038 (5)
Ga1	0.0407 (10)	0.0407 (10)	0.0125 (16)	0.0203 (5)	0.000	0.000
Ta	0.0407 (10)	0.0407 (10)	0.0125 (16)	0.0203 (5)	0.000	0.000
Ga2	0.0265 (9)	0.0265 (9)	0.029 (2)	0.0133 (4)	0.000	0.000
Ga3	0.0311 (12)	0.0270 (9)	0.0191 (15)	0.0155 (6)	0.0041 (9)	0.0021 (4)

Geometric parameters (Å, º)

La—O21^i	2.22 (4)	Ta—Ga3^viii	3.1050 (18)
La—O21^ii	2.22 (4)	Ta—Ga3^v	3.1050 (18)
La—O3^iii	2.36 (2)	Ga2—O2^xiii	1.84 (3)
La—O3	2.36 (2)	Ga2—O2^xiv	1.84 (3)
La—O1	2.470 (9)	Ga2—O2^xv	1.84 (3)
La—O1^iv	2.470 (9)	Ga2—O1	1.72 (3)
La—O2^iii	2.60 (3)	Ga2—O21^xiii	1.77 (4)
La—O2	2.60 (3)	Ga2—O21^xiv	1.77 (4)
La—O2^ii	2.43 (4)	Ga2—O21^xv	1.77 (4)
La—O2^i	2.43 (4)	Ga2—La^xvi	3.369 (3)
La—Ga2^v	3.369 (3)	Ga2—La^xvii	3.369 (3)
La—Ga2^vi	3.369 (3)	Ga2—La^xv	3.369 (3)
Ga1—O3^vii	1.98 (2)	Ga2—La^ii	3.458 (3)
Ga1—O3^viii	1.98 (2)	Ga3—O21^xviii	1.88 (4)
Ga1—O3	1.98 (2)	Ga3—O21	1.88 (4)
Ga1—O3^ix	1.98 (2)	Ga3—O3^xiv	1.77 (2)
Ga1—O3^x	1.98 (2)	Ga3—O3^ix	1.77 (2)
Ga1—O3^iii	1.98 (2)	Ga3—O2	1.86 (3)
Ga1—La^viii	3.450 (2)	Ga3—O2^xviii	1.86 (3)
Ga1—La^ix	3.450 (2)	Ga3—Ta^xvii	3.1050 (18)
Ta—O3^vii	1.98 (2)	Ga3—La^vi	3.592 (3)
Ta—O3^viii	1.98 (2)	Ga3—La^iv	3.592 (3)
Ta—O3	1.98 (2)	O1—La^ii	2.470 (9)
Ta—O3^ix	1.98 (2)	O1—La^xix	2.470 (9)
Ta—O3^x	1.98 (2)	O2—O21	0.95 (5)
Ta—O3^iii	1.98 (2)	O2—Ga2^vi	1.84 (3)
Ta—Ga3^xi	3.1050 (18)	O2—La^iv	2.43 (4)
Ta—Ga3^vii	3.1050 (18)	O21—Ga2^vi	1.77 (4)
Ta—Ga3^xii	3.1050 (18)	O21—La^iv	2.22 (4)
Ta—Ga3	3.1050 (18)	O3—Ga3^vii	1.77 (2)
O21^i—La—O21^ii	131.4 (19)	Ga3^vii—Ta—Ga3^viii	145.49 (4)
O21^i—La—O3^iii	136.3 (11)	Ga3^xii—Ta—Ga3^viii	61.84 (7)
O21^ii—La—O3^iii	87.7 (11)	Ga3—Ta—Ga3^viii	145.49 (4)
O21^i—La—O3	87.7 (11)	O3^vii—Ta—Ga3^v	159.2 (7)
O21^ii—La—O3	136.3 (11)	O3^viii—Ta—Ga3^v	87.3 (7)
O3^iii—La—O3	67.7 (11)	O3—Ta—Ga3^v	113.7 (7)
O21^i—La—O1	83.6 (10)	O3^ix—Ta—Ga3^v	97.8 (7)
O21^ii—La—O1	87.1 (11)	O3^x—Ta—Ga3^v	54.6 (7)
O3^iii—La—O1	122.6 (7)	O3^iii—Ta—Ga3^v	32.1 (7)
O3—La—O1	77.8 (7)	Ga3^xi—Ta—Ga3^v	145.49 (4)
O21^i—La—O1^iv	87.1 (11)	Ga3^vii—Ta—Ga3^v	145.49 (4)
O21^ii—La—O1^iv	83.6 (10)	Ga3^xii—Ta—Ga3^v	61.84 (7)
O3^iii—La—O1^iv	77.8 (7)	Ga3—Ta—Ga3^v	107.22 (9)
O3—La—O1^iv	122.6 (7)	Ga3^viii—Ta—Ga3^v	61.84 (7)
O1—La—O1^iv	157.29 (12)	O2^xiii—Ga2—O2^xiv	94.1 (15)
O21^i—La—O2^iii	148.7 (13)	O2^xiii—Ga2—O2^xv	94.1 (15)
O21^ii—La—O2^iii	57.9 (11)	O2^xiv—Ga2—O2^xv	94.1 (15)
O3^iii—La—O2^iii	63.1 (9)	O2^xiii—Ga2—O1	122.3 (11)
O3—La—O2^iii	78.5 (9)	O2^xiv—Ga2—O1	122.3 (11)
O1—La—O2^iii	66.1 (8)	O2^xv—Ga2—O1	122.3 (11)
O1^iv—La—O2^iii	124.0 (9)	O2^xiii—Ga2—O21^xiii	30.6 (15)
O21^i—La—O2	57.9 (11)	O2^xiv—Ga2—O21^xiii	122.6 (16)
O21^ii—La—O2	148.7 (13)	O2^xv—Ga2—O21^xiii	81.5 (15)
O3^iii—La—O2	78.5 (9)	O1—Ga2—O21^xiii	107.0 (13)
O3—La—O2	63.1 (9)	O2^xiii—Ga2—O21^xiv	81.5 (15)
O1—La—O2	124.0 (9)	O2^xiv—Ga2—O21^xiv	30.6 (15)
O1^iv—La—O2	66.1 (8)	O2^xv—Ga2—O21^xiv	122.6 (16)
O2^iii—La—O2	133.8 (12)	O1—Ga2—O21^xiv	107.0 (13)
O21^i—La—O2^ii	113.0 (12)	O21^xiii—Ga2—O21^xiv	111.8 (12)
O21^ii—La—O2^ii	23.1 (12)	O2^xiii—Ga2—O21^xv	122.6 (16)
O3^iii—La—O2^ii	109.3 (10)	O2^xiv—Ga2—O21^xv	81.5 (15)
O3—La—O2^ii	137.6 (9)	O2^xv—Ga2—O21^xv	30.6 (15)
O1—La—O2^ii	68.9 (8)	O1—Ga2—O21^xv	107.0 (13)
O1^iv—La—O2^ii	96.1 (7)	O21^xiii—Ga2—O21^xv	111.8 (12)
O2^iii—La—O2^ii	64.5 (13)	O21^xiv—Ga2—O21^xv	111.8 (12)
O2—La—O2^ii	159.2 (4)	O2^xiii—Ga2—La^xvi	50.1 (10)
O21^i—La—O2^i	23.1 (12)	O2^xiv—Ga2—La^xvi	44.5 (11)
O21^ii—La—O2^i	113.0 (12)	O2^xv—Ga2—La^xvi	101.2 (11)
O3^iii—La—O2^i	137.6 (9)	O1—Ga2—La^xvi	136.38 (5)
O3—La—O2^i	109.3 (10)	O21^xiii—Ga2—La^xvi	80.0 (12)
O1—La—O2^i	96.1 (7)	O21^xiv—Ga2—La^xvi	36.7 (13)
O1^iv—La—O2^i	68.9 (8)	O21^xv—Ga2—La^xvi	109.8 (13)
O2^iii—La—O2^i	159.2 (4)	O2^xiii—Ga2—La^xvii	101.2 (11)
O2—La—O2^i	64.5 (13)	O2^xiv—Ga2—La^xvii	50.1 (10)
O2^ii—La—O2^i	99.9 (14)	O2^xv—Ga2—La^xvii	44.5 (11)
O21^i—La—Ga2^v	139.5 (9)	O1—Ga2—La^xvii	136.38 (5)
O21^ii—La—Ga2^v	28.5 (9)	O21^xiii—Ga2—La^xvii	109.8 (13)
O3^iii—La—Ga2^v	84.1 (6)	O21^xiv—Ga2—La^xvii	80.0 (12)
O3—La—Ga2^v	110.1 (6)	O21^xv—Ga2—La^xvii	36.7 (13)
O1—La—Ga2^v	66.2 (6)	La^xvi—Ga2—La^xvii	73.37 (8)
O1^iv—La—Ga2^v	110.3 (5)	O2^xiii—Ga2—La^xv	44.5 (11)
O2^iii—La—Ga2^v	32.8 (6)	O2^xiv—Ga2—La^xv	101.2 (11)
O2—La—Ga2^v	162.6 (7)	O2^xv—Ga2—La^xv	50.1 (10)
O2^ii—La—Ga2^v	32.0 (7)	O1—Ga2—La^xv	136.38 (5)
O2^i—La—Ga2^v	131.4 (7)	O21^xiii—Ga2—La^xv	36.7 (13)
O21^i—La—Ga2^vi	28.5 (9)	O21^xiv—Ga2—La^xv	109.8 (13)
O21^ii—La—Ga2^vi	139.5 (9)	O21^xv—Ga2—La^xv	80.0 (12)
O3^iii—La—Ga2^vi	110.1 (6)	La^xvi—Ga2—La^xv	73.37 (8)
O3—La—Ga2^vi	84.1 (6)	La^xvii—Ga2—La^xv	73.37 (8)
O1—La—Ga2^vi	110.3 (5)	O2^xiii—Ga2—La	164.2 (11)
O1^iv—La—Ga2^vi	66.2 (6)	O2^xiv—Ga2—La	98.5 (11)
O2^iii—La—Ga2^vi	162.6 (7)	O2^xv—Ga2—La	94.4 (10)
O2—La—Ga2^vi	32.8 (6)	O1—Ga2—La	42.23 (5)
O2^ii—La—Ga2^vi	131.4 (7)	O21^xiii—Ga2—La	138.9 (12)
O2^i—La—Ga2^vi	32.0 (7)	O21^xiv—Ga2—La	104.8 (12)
Ga2^v—La—Ga2^vi	163.40 (7)	O21^xv—Ga2—La	69.1 (13)
O3^vii—Ga1—O3^viii	83.1 (14)	La^xvi—Ga2—La	140.164 (6)
O3^vii—Ga1—O3	86.7 (10)	La^xvii—Ga2—La	94.151 (11)
O3^viii—Ga1—O3	106.3 (14)	La^xv—Ga2—La	140.163 (6)
O3^vii—Ga1—O3^ix	86.7 (10)	O2^xiii—Ga2—La^ii	94.4 (10)
O3^viii—Ga1—O3^ix	162.9 (15)	O2^xiv—Ga2—La^ii	164.2 (11)
O3—Ga1—O3^ix	86.7 (10)	O2^xv—Ga2—La^ii	98.5 (11)
O3^vii—Ga1—O3^x	106.3 (14)	O1—Ga2—La^ii	42.23 (5)
O3^viii—Ga1—O3^x	86.7 (10)	O21^xiii—Ga2—La^ii	69.1 (13)
O3—Ga1—O3^x	162.9 (15)	O21^xiv—Ga2—La^ii	138.9 (12)
O3^ix—Ga1—O3^x	83.1 (14)	O21^xv—Ga2—La^ii	104.8 (12)
O3^vii—Ga1—O3^iii	162.9 (15)	La^xvi—Ga2—La^ii	140.164 (6)
O3^viii—Ga1—O3^iii	86.7 (10)	La^xvii—Ga2—La^ii	140.163 (6)
O3—Ga1—O3^iii	83.1 (14)	La^xv—Ga2—La^ii	94.151 (10)
O3^ix—Ga1—O3^iii	106.3 (14)	La—Ga2—La^ii	71.19 (8)
O3^x—Ga1—O3^iii	86.7 (10)	O21^xviii—Ga3—O21	54 (2)
O3^vii—Ga1—La^viii	41.5 (7)	O21^xviii—Ga3—O3^xiv	107.3 (15)
O3^viii—Ga1—La^viii	41.5 (7)	O21—Ga3—O3^xiv	110.9 (14)
O3—Ga1—La^viii	98.6 (8)	O21^xviii—Ga3—O3^ix	110.9 (14)
O3^ix—Ga1—La^viii	126.9 (7)	O21—Ga3—O3^ix	107.3 (15)
O3^x—Ga1—La^viii	98.6 (8)	O3^xiv—Ga3—O3^ix	136.9 (16)
O3^iii—Ga1—La^viii	126.9 (7)	O21^xviii—Ga3—O2	84.0 (16)
O3^vii—Ga1—La^ix	98.6 (8)	O21—Ga3—O2	29.6 (14)
O3^viii—Ga1—La^ix	126.9 (7)	O3^xiv—Ga3—O2	104.4 (14)
O3—Ga1—La^ix	126.8 (7)	O3^ix—Ga3—O2	98.8 (13)
O3^ix—Ga1—La^ix	41.5 (7)	O21^xviii—Ga3—O2^xviii	29.6 (14)
O3^x—Ga1—La^ix	41.5 (7)	O21—Ga3—O2^xviii	84.0 (16)
O3^iii—Ga1—La^ix	98.6 (8)	O3^xiv—Ga3—O2^xviii	98.8 (13)
La^viii—Ga1—La^ix	120.0	O3^ix—Ga3—O2^xviii	104.4 (14)
O3^vii—Ga1—La	126.9 (7)	O2—Ga3—O2^xviii	114 (2)
O3^viii—Ga1—La	98.6 (8)	O21^xviii—Ga3—Ta^xvii	106.2 (12)
O3—Ga1—La	41.5 (7)	O21—Ga3—Ta^xvii	140.9 (12)
O3^ix—Ga1—La	98.6 (8)	O3^xiv—Ga3—Ta^xvii	36.6 (8)
O3^x—Ga1—La	126.9 (7)	O3^ix—Ga3—Ta^xvii	111.5 (8)
O3^iii—Ga1—La	41.5 (7)	O2—Ga3—Ta^xvii	141.0 (10)
La^viii—Ga1—La	120.0	O2^xviii—Ga3—Ta^xvii	82.7 (10)
La^ix—Ga1—La	120.0	O21^xviii—Ga3—Ta	140.9 (12)
O3^vii—Ta—O3^viii	83.1 (14)	O21—Ga3—Ta	106.2 (12)
O3^vii—Ta—O3	86.7 (10)	O3^xiv—Ga3—Ta	111.5 (8)
O3^viii—Ta—O3	106.3 (14)	O3^ix—Ga3—Ta	36.6 (8)
O3^vii—Ta—O3^ix	86.7 (10)	O2—Ga3—Ta	82.7 (10)
O3^viii—Ta—O3^ix	162.9 (15)	O2^xviii—Ga3—Ta	141.0 (10)
O3—Ta—O3^ix	86.7 (10)	Ta^xvii—Ga3—Ta	107.22 (9)
O3^vii—Ta—O3^x	106.3 (14)	O21^xviii—Ga3—La^vi	31.4 (12)
O3^viii—Ta—O3^x	86.7 (10)	O21—Ga3—La^vi	64.9 (12)
O3—Ta—O3^x	162.9 (15)	O3^xiv—Ga3—La^vi	76.0 (8)
O3^ix—Ta—O3^x	83.1 (14)	O3^ix—Ga3—La^vi	140.3 (8)
O3^vii—Ta—O3^iii	162.9 (15)	O2—Ga3—La^vi	89.8 (10)
O3^viii—Ta—O3^iii	86.7 (10)	O2^xviii—Ga3—La^vi	38.4 (10)
O3—Ta—O3^iii	83.1 (14)	Ta^xvii—Ga3—La^vi	82.30 (2)
O3^ix—Ta—O3^iii	106.3 (14)	Ta—Ga3—La^vi	170.48 (8)
O3^x—Ta—O3^iii	86.7 (10)	O21^xviii—Ga3—La^iv	64.9 (12)
O3^vii—Ta—Ga3^xi	32.1 (7)	O21—Ga3—La^iv	31.4 (12)
O3^viii—Ta—Ga3^xi	113.7 (7)	O3^xiv—Ga3—La^iv	140.3 (8)
O3—Ta—Ga3^xi	87.3 (7)	O3^ix—Ga3—La^iv	76.0 (8)
O3^ix—Ta—Ga3^xi	54.6 (7)	O2—Ga3—La^iv	38.4 (10)
O3^x—Ta—Ga3^xi	97.8 (7)	O2^xviii—Ga3—La^iv	89.8 (10)
O3^iii—Ta—Ga3^xi	159.2 (7)	Ta^xvii—Ga3—La^iv	170.48 (8)
O3^vii—Ta—Ga3^vii	54.6 (7)	Ta—Ga3—La^iv	82.30 (2)
O3^viii—Ta—Ga3^vii	97.8 (7)	La^vi—Ga3—La^iv	88.18 (8)
O3—Ta—Ga3^vii	32.1 (7)	Ga2—O1—La	109.8 (6)
O3^ix—Ta—Ga3^vii	87.3 (7)	Ga2—O1—La^ii	109.8 (6)
O3^x—Ta—Ga3^vii	159.2 (7)	La—O1—La^ii	109.1 (6)
O3^iii—Ta—Ga3^vii	113.7 (7)	Ga2—O1—La^xix	109.8 (6)
Ga3^xi—Ta—Ga3^vii	61.84 (7)	La—O1—La^xix	109.1 (6)
O3^vii—Ta—Ga3^xii	113.7 (7)	La^ii—O1—La^xix	109.1 (6)
O3^viii—Ta—Ga3^xii	32.1 (7)	O21—O2—Ga2^vi	71 (3)
O3—Ta—Ga3^xii	97.8 (7)	O21—O2—Ga3	76 (3)
O3^ix—Ta—Ga3^xii	159.2 (7)	Ga2^vi—O2—Ga3	113.5 (19)
O3^x—Ta—Ga3^xii	87.3 (7)	O21—O2—La	163 (3)
O3^iii—Ta—Ga3^xii	54.6 (7)	Ga2^vi—O2—La	97.2 (11)
Ga3^xi—Ta—Ga3^xii	145.49 (4)	Ga3—O2—La	120.8 (14)
Ga3^vii—Ta—Ga3^xii	107.22 (9)	O21—O2—La^iv	66 (3)
O3^vii—Ta—Ga3	87.3 (7)	Ga2^vi—O2—La^iv	103.5 (14)
O3^viii—Ta—Ga3	159.2 (7)	Ga3—O2—La^iv	113.2 (13)
O3—Ta—Ga3	54.6 (7)	La—O2—La^iv	106.2 (13)
O3^ix—Ta—Ga3	32.1 (7)	O2—O21—Ga3	74 (3)
O3^x—Ta—Ga3	113.7 (7)	O2—O21—Ga2^vi	79 (3)
O3^iii—Ta—Ga3	97.8 (7)	Ga3—O21—Ga2^vi	116 (2)
Ga3^xi—Ta—Ga3	61.84 (7)	O2—O21—La^iv	91 (4)
Ga3^vii—Ta—Ga3	61.84 (7)	Ga3—O21—La^iv	122.5 (19)
Ga3^xii—Ta—Ga3	145.49 (4)	Ga2^vi—O21—La^iv	114.8 (18)
O3^vii—Ta—Ga3^viii	97.8 (7)	Ga3^vii—O3—Ta	111.3 (13)
O3^viii—Ta—Ga3^viii	54.6 (7)	Ga3^vii—O3—Ga1	111.3 (13)
O3—Ta—Ga3^viii	159.2 (7)	Ta—O3—Ga1	0.0
O3^ix—Ta—Ga3^viii	113.7 (7)	Ga3^vii—O3—La	140.3 (13)
O3^x—Ta—Ga3^viii	32.1 (7)	Ta—O3—La	104.6 (10)
O3^iii—Ta—Ga3^viii	87.3 (7)	Ga1—O3—La	104.6 (10)
Ga3^xi—Ta—Ga3^viii	107.22 (9)

Symmetry codes: (i) −x+y+1, −x, z; (ii) y+1, x, −z; (iii) x−y, −y, −z; (iv) y, x−1, −z; (v) x, y, z+1; (vi) y, x−1, −z−1; (vii) −y, x−y, z; (viii) y, x, −z; (ix) −x+y, −x, z; (x) −x, −x+y, −z; (xi) y, x, −z−1; (xii) −y, x−y, z+1; (xiii) −x+1, −x+y+1, −z−1; (xiv) x−y, −y, −z−1; (xv) y+1, x, −z−1; (xvi) −x+y+1, −x+1, z−1; (xvii) x, y, z−1; (xviii) −x, −x+y, −z−1; (xix) −x+y+1, −x+1, z.

(18.5d3)

Crystal data

Ga5.50La3Nb0.50O14	V = 262.0 Å^3
Mr = 1070.65	Z = 1
?, ?	F(000) = 474
a = 7.783 Å	Dx = 6.786 Mg m^−3
b = 7.783 Å	? radiation, λ = 0.54920 Å
c = 4.994 Å	µ = 15.41 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.000
Graphite monochromator	θmax = 32.9°, θmin = 3.2°
305 measured reflections	h = −12→10
305 independent reflections	k = −9→8
286 reflections with I > 2σ(I)	l = −6→8

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.090	(Δ/σ)max < 0.001
wR(F^2) = 0.241	Δρmax = 2.57 e Å^−3
S = 1.78	Δρmin = −1.94 e Å^−3
305 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
28 parameters	Extinction coefficient: 0.011 (13)
0 restraints	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: −0.1 (3)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La	0.4390 (5)	0.0000	0.0000	0.0336 (14)
Ga1	0.0000	0.0000	0.0000	0.035 (3)	0.50
Ga2	0.6667	0.3333	0.4925 (17)	0.037 (2)
Ga3	0.7650 (8)	0.0000	0.5000	0.0286 (17)
Nb	0.0000	0.0000	0.0000	0.035 (3)	0.50
O1	0.6667	0.3333	−0.168 (8)	0.018 (8)*
O2	0.721 (8)	0.160 (6)	0.332 (8)	0.081 (15)*
O3	0.154 (7)	−0.074 (7)	0.235 (6)	0.071 (12)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La	0.041 (2)	0.0202 (18)	0.032 (2)	0.0101 (9)	0.0042 (8)	0.0084 (15)
Ga1	0.047 (4)	0.047 (4)	0.012 (5)	0.023 (2)	0.000	0.000
Ga2	0.047 (4)	0.047 (4)	0.018 (4)	0.0234 (18)	0.000	0.000
Ga3	0.027 (2)	0.046 (4)	0.020 (3)	0.023 (2)	−0.0063 (12)	−0.013 (2)
Nb	0.047 (4)	0.047 (4)	0.012 (5)	0.023 (2)	0.000	0.000

Bond lengths (Å)

La—O3^i	2.31 (5)	O2—O3^xviii	3.26 (5)
La—O3	2.31 (5)	O2—Nb^xxii	3.42 (5)
La—O1	2.445 (14)	O2—Ga1^xxii	3.42 (5)
La—O1^ii	2.445 (14)	O2—Ga2^v	3.61 (5)
La—O2^i	2.53 (5)	O2—O1^ii	3.60 (5)
La—O2	2.53 (5)	O2—O3	3.87 (7)
La—O2^ii	2.73 (5)	O2—La^xiv	3.84 (4)
La—O2^iii	2.73 (5)	O2—Ga3^xliii	3.83 (5)
La—Ga2	3.365 (6)	O2—O2^i	3.95 (8)
La—Ga2^ii	3.365 (6)	O2—La^xvii	3.98 (4)
La—Ga2^iv	3.420 (6)	O2—O3^xvi	4.16 (7)
La—Ga2^v	3.420 (6)	O2—Ga3^iii	4.19 (5)
Ga1—O3	1.96 (4)	O2—Ga3^xvii	4.17 (4)
Ga1—O3^vi	1.96 (4)	O2—La^iii	4.24 (4)
Ga1—O3^i	1.96 (4)	O2—O2^xvii	4.32 (3)
Ga1—O3^vii	1.96 (4)	O2—O2^v	4.32 (3)
Ga1—O3^viii	1.96 (4)	O2—O3^xxi	4.21 (6)
Ga1—O3^ix	1.96 (4)	O2—O2^xliv	4.12 (10)
Ga1—La^vi	3.417 (4)	O2—O3^i	4.54 (6)
Ga1—La^ix	3.417 (4)	O2—Ga3^iv	4.40 (4)
Ga1—O2^x	3.42 (5)	O2—Ga2^iv	4.49 (4)
Ga1—O2^xi	3.42 (5)	O2—La^xx	4.50 (4)
Ga1—O2^xii	3.42 (5)	O2—Nb^xxiii	4.48 (4)
Ga2—O2	1.79 (4)	O2—Ga1^xxiii	4.48 (4)
Ga2—O2^xiii	1.79 (4)	O2—Ga2^xvii	4.50 (5)
Ga2—O2^iii	1.79 (4)	O2—O1^xviii	4.49 (5)
Ga2—O1^xiv	1.69 (4)	O2—O3^xxxvii	4.59 (7)
Ga2—O3^xv	3.27 (5)	O2—Ga3^xlv	4.64 (5)
Ga2—O3^xvi	3.27 (5)	O2—O3^xxii	4.59 (7)
Ga2—O3^xvii	3.27 (5)	O2—O3^xv	4.86 (7)
Ga2—O1	3.30 (4)	O2—Ga3^v	4.94 (5)
Ga2—La^iii	3.365 (6)	O2—O3^xlvi	4.83 (7)
Ga2—La^xviii	3.365 (6)	O2—O2^iv	4.9940
Ga2—La^xix	3.420 (6)	O2—O2^xiv	4.9940
Ga3—O2	1.67 (4)	O2—O2^xv	5.18 (7)
Ga3—O2^xvi	1.67 (4)	O2—O2^xxi	5.18 (7)
Ga3—O3^xx	1.80 (4)	O2—La^xix	5.13 (4)
Ga3—O3^xvii	1.80 (4)	O2—O3^iii	5.18 (5)
Ga3—O3^xiii	2.53 (4)	O2—O3^x	5.20 (7)
Ga3—O3^xxi	2.53 (4)	O2—O2^xviii	5.18 (5)
Ga3—Nb^xxii	3.095 (4)	O2—O2^ii	5.18 (5)
Ga3—Nb^xxiii	3.095 (4)	O2—O3^xlvii	5.17 (6)
Ga3—O1^ii	3.47 (2)	O2—O2^xxix	5.01 (9)
Ga3—O1^xiv	3.47 (2)	O2—O3^xxvii	5.20 (7)
Ga3—La^xiv	3.560 (6)	O2—O3^xlviii	5.24 (6)
Nb—O3	1.96 (4)	O2—O3^vii	5.34 (7)
Nb—O3^vi	1.96 (4)	O2—O3^xlii	5.17 (7)
Nb—O3^i	1.96 (4)	O2—La^xlviii	5.35 (4)
Nb—O3^vii	1.96 (4)	O2—O1^v	5.45 (5)
Nb—O3^viii	1.96 (4)	O2—O2^xliii	5.19 (8)
Nb—O3^ix	1.96 (4)	O2—O2^xlix	5.19 (8)
Nb—Ga3^xxiv	3.095 (4)	O2—Ga2^ii	5.41 (4)
Nb—Ga3^xxv	3.095 (4)	O2—O2^xxvi	5.71 (4)
Nb—Ga3^ii	3.095 (4)	O2—O2^xxv	5.71 (4)
Nb—Ga3^iii	3.095 (4)	O2—O2^xlvii	5.71 (4)
Nb—Ga3^xii	3.095 (4)	O2—O2^xix	5.71 (4)
Nb—Ga3^v	3.095 (4)	O2—Ga3^xxxii	5.59 (5)
O1—Ga2^iv	1.69 (4)	O2—La^ii	5.85 (5)
O1—La^iii	2.445 (14)	O2—O3^xiv	5.93 (6)
O1—La^xviii	2.445 (14)	O2—O2^x	5.92 (7)
O1—O2	2.97 (5)	O2—O2^xxxvii	5.92 (7)
O1—O2^xiii	2.97 (5)	O2—O2^l	6.06 (8)
O1—O2^iii	2.97 (5)	O2—O2^xx	6.06 (8)
O1—O2^xxvi	2.97 (5)	O2—La^xliii	5.90 (5)
O1—O2^xxv	2.97 (5)	O2—O1^vi	6.10 (4)
O1—O2^iv	2.97 (5)	O2—O1^xvii	6.08 (6)
O1—O3^x	2.99 (5)	O3—Ga3^v	1.80 (4)
O1—O3^i	2.99 (5)	O3—O3^i	2.56 (7)
O1—O3^xviii	2.99 (5)	O3—Ga3^iii	2.53 (4)
O1—Ga3^xviii	3.47 (2)	O3—O2^iii	2.57 (7)
O1—Ga3^xxv	3.47 (2)	O3—O2^v	2.70 (5)
O1—Ga3^iv	3.47 (2)	O3—O2^l	2.70 (5)
O1—O2^xviii	3.60 (5)	O3—O3^ix	2.72 (9)
O1—O2^x	3.60 (5)	O3—O3^vii	2.72 (9)
O1—O2^i	3.60 (5)	O3—O3^xvi	2.83 (6)
O1—O3^iii	4.17 (5)	O3—O1^ii	2.99 (5)
O1—O3	4.17 (5)	O3—O3^viii	3.14 (8)
O1—O3^xiii	4.17 (5)	O3—Ga2^v	3.27 (5)
O1—Ga3^xvii	4.52 (3)	O3—O2^ii	3.26 (5)
O1—Ga3^iii	4.52 (3)	O3—O3^li	3.36 (8)
O1—Ga1^xxvii	4.571 (8)	O3—La^ii	3.55 (4)
O1—Nb^xxvii	4.571 (8)	O3—Ga3^xii	3.61 (5)
O1—Ga1^xxii	4.571 (8)	O3—Ga3^ii	3.87 (3)
O1—Nb^xxii	4.571 (8)	O3—O3^vi	3.87 (9)
O1—O2^xxviii	4.49 (5)	O3—O2^xvi	4.16 (7)
O1—O2^xxix	4.49 (5)	O3—O3^xxxviii	4.06 (8)
O1—O2^ii	4.49 (5)	O3—Ga1^xiv	4.13 (3)
O1—O3^xxvii	4.71 (5)	O3—Nb^xiv	4.13 (3)
O1—O3^vii	4.71 (5)	O3—La^ix	4.20 (5)
O1—O3^xx	4.71 (5)	O3—Ga3^xxv	4.26 (3)
O1—O3^xxv	4.71 (5)	O3—O2^xv	4.21 (6)
O1—O3^iv	4.71 (5)	O3—La^xiv	4.31 (3)
O1—O3^xxvi	4.71 (5)	O3—O2^i	4.54 (6)
O1—O1^vi	4.80 (3)	O3—Ga2^lii	4.45 (4)
O1—O1^xviii	4.80 (3)	O3—La^iii	4.50 (4)
O1—O1^ii	4.80 (3)	O3—Ga2^ii	4.69 (4)
O1—La^xxv	4.75 (4)	O3—O2^x	4.59 (7)
O1—La^iv	4.75 (4)	O3—O1^lii	4.71 (5)
O1—La^xxx	4.75 (4)	O3—O1^xiv	4.71 (5)
O1—Ga2^vi	4.776 (15)	O3—O2^xii	4.59 (7)
O1—Ga2^xviii	4.776 (15)	O3—O2^xxi	4.86 (7)
O1—Ga2^ii	4.776 (15)	O3—La^vi	4.86 (5)
O1—O1^iv	4.9940	O3—O2^liii	4.83 (7)
O1—O1^xiv	4.9940	O3—O3^iv	4.9940
O1—Ga3^xxxi	5.126 (14)	O3—O3^xiv	4.9940
O1—Ga3^ii	5.127 (14)	O3—Ga3^xxiv	4.97 (4)
O1—Ga3^xxxii	5.127 (14)	O3—O3^l	5.14 (8)
O1—O3^xxxiii	5.20 (5)	O3—O3^xx	5.14 (8)
O1—O3^xxxiv	5.20 (5)	O3—La^v	5.08 (4)
O1—O3^xxxv	5.20 (5)	O3—O2^xiii	5.18 (5)
O1—O3^xxxvi	5.22 (5)	O3—O2^xxxvii	5.20 (7)
O1—O3^vi	5.22 (5)	O3—Ga2^iv	5.21 (4)
O1—O3^xxxvii	5.22 (5)	O3—O2^xxv	5.17 (6)
O1—O2^xvii	5.45 (5)	O3—O2^lii	5.20 (7)
O1—O2^xv	5.45 (5)	O3—O1^liv	5.20 (5)
O1—O2^xvi	5.45 (5)	O3—O2^lv	5.24 (6)
O1—O3^xv	5.53 (5)	O3—O1^vi	5.22 (5)
O1—O3^xvii	5.53 (5)	O3—O2^ix	5.34 (7)
O1—O3^xvi	5.53 (5)	O3—La^xx	5.33 (5)
O1—Ga2^xxxviii	5.62 (3)	O3—O2^xi	5.17 (7)
O1—Ga2^xvii	5.62 (3)	O3—Ga2^xxxviii	5.39 (4)
O1—Ga2^v	5.62 (3)	O3—O1^v	5.53 (5)
O1—O1^xxxix	5.58 (5)	O3—La^lvi	5.55 (4)
O1—O1^xxx	5.58 (5)	O3—Ga2^lvii	5.65 (4)
O1—O1^xl	5.58 (5)	O3—O1^lviii	5.67 (5)
O1—La^xxvii	5.707 (6)	O3—O3^lix	5.69 (4)
O1—La^vi	5.707 (6)	O3—O3^xxxiv	5.69 (4)
O1—La^xx	5.707 (6)	O3—O3^lvi	5.69 (4)
O1—O3^xli	5.67 (5)	O3—O3^lx	5.69 (4)
O1—O3^viii	5.67 (5)	O3—Ga3^iv	5.80 (4)
O1—O3^xlii	5.67 (5)	O3—O3^ii	5.84 (7)
O1—O2^xxxvi	6.10 (4)	O3—O3^xviii	5.84 (7)
O2—O2^xiii	2.78 (7)	O3—La^xix	5.78 (4)
O2—O2^iii	2.78 (7)	O3—O2^iv	5.93 (6)
O2—O3^xiii	2.57 (7)	O3—La^xviii	5.86 (5)
O2—O2^xvi	2.73 (8)	O3—O3^v	5.96 (7)
O2—O3^xvii	2.70 (5)	O3—O3^xvii	5.96 (7)
O2—O3^xx	2.70 (5)	O3—La^xii	5.99 (5)
O2—La^xviii	2.73 (5)	O3—La^xxxviii	6.06 (4)
O2—O1^xiv	2.97 (5)

Symmetry codes: (i) x−y, −y, −z; (ii) y, x−1, −z; (iii) −x+y+1, −x+1, z; (iv) x, y, z−1; (v) y, x−1, −z+1; (vi) y, x, −z; (vii) −y, x−y, z; (viii) −x, −x+y, −z; (ix) −x+y, −x, z; (x) −x+1, −x+y+1, −z; (xi) x−y−1, −y, −z; (xii) x−1, y, z; (xiii) −y+1, x−y, z; (xiv) x, y, z+1; (xv) −x+1, −x+y+1, −z+1; (xvi) x−y, −y, −z+1; (xvii) y+1, x, −z+1; (xviii) y+1, x, −z; (xix) −x+y+1, −x+1, z+1; (xx) −x+y+1, −x, z; (xxi) −x+1, −x+y, −z+1; (xxii) x+1, y, z; (xxiii) x+1, y, z+1; (xxiv) x−1, y, z−1; (xxv) −x+y+1, −x+1, z−1; (xxvi) −y+1, x−y, z−1; (xxvii) x+1, y+1, z; (xxviii) x−y, −y+1, −z; (xxix) −x+2, −x+y+1, −z; (xxx) y+1, x, −z−1; (xxxi) x, y+1, z−1; (xxxii) −x+y+2, −x+1, z−1; (xxxiii) x+1, y+1, z−1; (xxxiv) −y, x−y, z−1; (xxxv) −x+y+1, −x, z−1; (xxxvi) x−y+1, −y+1, −z; (xxxvii) −x+1, −x+y, −z; (xxxviii) y, x, −z+1; (xxxix) y, x, −z−1; (xl) y, x−1, −z−1; (xli) y+1, x+1, −z; (xlii) x−y+1, −y, −z; (xliii) −x+y+2, −x+1, z; (xliv) −x+2, −x+y+1, −z+1; (xlv) y+1, x−1, −z+1; (xlvi) x−y+1, −y, −z+1; (xlvii) −y+1, x−y, z+1; (xlviii) −x+y+1, −x, z+1; (xlix) −y+1, x−y−1, z; (l) −y, x−y−1, z; (li) −x, −x+y, −z+1; (lii) x−1, y−1, z; (liii) x−y−1, −y, −z+1; (liv) x−1, y−1, z+1; (lv) −y, x−y−1, z−1; (lvi) −x+y, −x, z+1; (lvii) x−1, y−1, z−1; (lviii) y−1, x−1, −z; (lix) −x+y, −x, z−1; (lx) −y, x−y, z+1.

(18.5d3a2)

Crystal data

Ga11La6NbO28	V = 524.0 Å^3
Mr = 2141.29	Z = 1
?, ?	F(000) = 948
a = 4.994 Å	Dx = 6.786 Mg m^−3
b = 7.783 Å	? radiation, λ = 0.54920 Å
c = 13.481 Å	µ = 15.41 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 90°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.055
Graphite monochromator	θmax = 36.1°, θmin = 3.2°
546 measured reflections	h = −8→8
393 independent reflections	k = −14→14
370 reflections with I > 2σ(I)	l = −16→16

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.075	(Δ/σ)max = 0.097
wR(F^2) = 0.196	Δρmax = 1.56 e Å^−3
S = 1.57	Δρmin = −1.50 e Å^−3
393 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
75 parameters	Extinction coefficient: 0.0007 (11)
1 restraint	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.1 (3)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La1	−0.0076 (7)	0.2189 (5)	0.7792 (3)	0.0337 (8)
La2	0.0000	−0.4384 (8)	1.0000	0.0393 (17)
Ga1	0.0000	−0.0088 (17)	1.0000	0.040 (2)	0.50
Nb	0.0000	−0.0088 (17)	1.0000	0.040 (2)	0.50
Ga2	−0.4909 (10)	−0.0018 (16)	0.6654 (11)	0.0435 (18)
Ga3	−0.5000	0.2362 (9)	1.0000	0.025 (2)
Ga4	0.4883 (17)	0.3845 (10)	0.6160 (7)	0.0316 (18)
O1	0.157 (5)	−0.004 (7)	0.673 (4)	0.018 (5)*
O2	0.348 (9)	0.352 (5)	0.936 (4)	0.041 (11)*
O3	0.296 (9)	0.445 (5)	0.736 (4)	0.041 (13)*
O4	0.412 (7)	0.730 (5)	0.781 (3)	0.031 (8)*
O5	−0.236 (6)	0.132 (4)	0.952 (3)	0.019 (8)*
O6	0.235 (7)	0.029 (4)	0.871 (3)	0.020 (9)*
O7	−0.190 (9)	−0.205 (7)	0.996 (4)	0.042 (12)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La1	0.0337 (14)	0.0258 (12)	0.042 (2)	0.0032 (15)	0.0174 (17)	−0.0082 (16)
La2	0.041 (3)	0.057 (4)	0.020 (3)	0.000	0.000 (3)	0.000
Ga1	0.018 (3)	0.040 (4)	0.062 (6)	0.000	0.031 (4)	0.000
Nb	0.018 (3)	0.040 (4)	0.062 (6)	0.000	0.031 (4)	0.000
Ga2	0.024 (3)	0.038 (3)	0.069 (6)	−0.002 (4)	0.008 (4)	0.000 (6)
Ga3	0.039 (5)	0.000 (3)	0.035 (6)	0.000	0.008 (4)	0.000
Ga4	0.009 (3)	0.041 (3)	0.044 (5)	−0.012 (3)	−0.007 (4)	0.008 (3)

Bond lengths (Å)

La1—O4^i	2.18 (4)	O2—O4^ix	3.29 (7)
La1—O5	2.68 (4)	O2—O4^xxiii	4.97 (7)
La1—O6	2.28 (4)	O2—O4^i	4.88 (7)
La1—O3	2.39 (5)	O2—O4^iii	6.14 (6)
La1—O1	2.39 (5)	O3—Ga2^ii	1.70 (5)
La1—O1^ii	2.37 (5)	O3—La1^ii	2.58 (4)
La1—O3^i	2.58 (4)	O3—O4	2.37 (6)
La1—O2	2.95 (5)	O3—O4^ix	2.23 (6)
La1—Ga2	3.336 (12)	O3—O4^i	3.92 (6)
La1—Ga2^ii	3.389 (11)	O4—Ga4^xix	1.91 (4)
La1—Ga1	3.465 (8)	O4—Ga2^ii	1.99 (4)
La1—Nb	3.465 (8)	O4—La1^ii	2.18 (4)
La2—O7^iii	2.05 (5)	O4—O6^xvii	2.77 (5)
La2—O7	2.05 (5)	O4—La2^xvii	3.83 (4)
La2—O2^iv	2.54 (5)	O4—O7^xxiv	3.25 (7)
La2—O2^v	2.54 (4)	O4—O1^ii	3.43 (5)
La2—O1^vi	2.52 (5)	O4—O7^xxv	3.55 (7)
La2—O1^i	2.52 (5)	O4—O3^xix	2.23 (6)
La2—O4^iv	3.83 (4)	O4—O7^xvii	4.21 (6)
La2—O4^v	3.83 (4)	O4—O1^xix	2.89 (6)
La2—Ga2^vi	3.350 (10)	O4—O1^xvii	2.83 (7)
La2—Ga2^i	3.350 (10)	O4—Nb^xvii	4.14 (4)
La2—Ga1	3.343 (15)	O4—Ga1^xvii	4.14 (4)
La2—Nb	3.343 (15)	O4—O3^ii	3.92 (6)
Ga1—O6	2.12 (4)	O4—Ga2^xxv	2.65 (4)
Ga1—O6^iii	2.12 (4)	O4—O5^ii	3.34 (6)
Ga1—O5^iii	1.74 (4)	O4—La1^xix	3.08 (3)
Ga1—O5	1.74 (4)	O4—Ga4^xxvi	4.69 (5)
Ga1—O7^iii	1.80 (5)	O4—Ga4^ii	4.86 (4)
Ga1—O7	1.80 (5)	O4—O6^xix	3.12 (5)
Ga1—O4^iv	4.14 (4)	O4—O5^xxv	4.26 (6)
Ga1—O4^v	4.14 (4)	O4—Ga2^xxvii	5.00 (4)
Ga1—La1^iii	3.465 (8)	O4—O6^ii	4.13 (6)
Ga1—O4^vii	4.64 (4)	O4—La1^xvii	4.34 (4)
Nb—O6	2.12 (4)	O4—O5^xvii	5.06 (5)
Nb—O6^iii	2.12 (4)	O4—La2^xxv	4.37 (4)
Nb—O5^iii	1.74 (4)	O4—O2^xix	3.29 (7)
Nb—O5	1.74 (4)	O4—Ga3^x	4.87 (5)
Nb—O7^iii	1.80 (5)	O4—O2^xxiii	4.97 (7)
Nb—O7	1.80 (5)	O4—O5^xxiv	4.86 (6)
Nb—Ga4^viii	3.109 (9)	O4—Ga3^xxv	4.94 (4)
Nb—Ga4^ix	3.109 (9)	O4—O4^xxiii	5.98 (9)
Nb—Ga4^vi	3.013 (9)	O4—Nb^xxv	4.64 (4)
Nb—Ga4^i	3.013 (9)	O4—Ga1^xxv	4.64 (4)
Nb—Ga3	3.142 (9)	O4—O1^xxvi	5.74 (7)
Nb—Ga3^x	3.142 (9)	O4—Ga2^xxviii	5.51 (5)
Ga2—O1^xi	1.76 (2)	O4—Ga3^xx	3.81 (4)
Ga2—O2^i	1.92 (5)	O4—O4^iii	7.21 (8)
Ga2—O3^i	1.70 (5)	O4—O2^ii	4.88 (7)
Ga2—O4^i	1.99 (4)	O4—O4^xi	4.9940 (5)
Ga2—La2^xii	3.350 (10)	O4—O4^x	4.9940 (6)
Ga2—La1^i	3.389 (11)	O4—Ga2^xvii	5.21 (4)
Ga2—La1^xiii	3.400 (10)	O4—O6^xxix	5.53 (6)
Ga2—La2^xiv	3.417 (12)	O4—O6^xxiv	6.16 (5)
Ga2—La1^xi	3.459 (10)	O4—O2^iii	6.14 (6)
Ga2—O4^xv	2.65 (5)	O4—O7^ii	5.16 (7)
Ga2—O4^xiii	5.00 (4)	O4—O5^x	5.48 (6)
Ga3—O2^iii	1.46 (5)	O4—Ga1^xii	4.69 (4)
Ga3—O2^xi	1.46 (5)	O4—Nb^xii	4.69 (4)
Ga3—O5^xvi	1.68 (3)	O4—O4^ix	4.07 (2)
Ga3—O5	1.68 (3)	O4—O4^xix	4.07 (2)
Ga3—Nb^xi	3.142 (9)	O4—La1^x	4.92 (4)
Ga3—La2^xvii	3.557 (7)	O4—O4^i	5.72 (6)
Ga3—La2^xviii	3.557 (7)	O4—O4^ii	5.72 (6)
Ga3—O4^iii	4.87 (5)	O4—La1^xxv	4.78 (4)
Ga3—O4^xi	4.87 (5)	O4—Ga4^xxx	6.57 (4)
Ga3—O4^iv	4.94 (4)	O4—Ga4^xi	5.78 (4)
Ga3—O4^xv	4.94 (4)	O4—La2^xxxi	5.02 (5)
Ga4—O7^ii	2.23 (6)	O4—La1^xxvi	7.04 (4)
Ga4—O3	1.94 (5)	O4—O4^v	7.7830 (3)
Ga4—O6^xix	1.79 (4)	O4—O4^vi	7.7832 (2)
Ga4—O4^ix	1.91 (4)	O4—O4^xxvi	7.7832 (2)
Ga4—Nb^xx	3.109 (9)	O4—O4^xxi	7.7832 (2)
Ga4—Nb^xii	3.013 (9)	O4—O4^xii	7.7832 (2)
Ga4—La1^x	3.583 (10)	O5—O4^i	3.34 (6)
Ga4—O4^xxi	4.69 (5)	O5—O4^xv	4.26 (6)
Ga4—O4^i	4.86 (4)	O5—O4^v	5.06 (5)
Ga4—O4	3.51 (4)	O5—O4^iv	4.86 (6)
Ga4—O4^xxii	6.57 (4)	O5—O4^xi	5.48 (6)
O1—Ga2^x	1.76 (2)	O6—Ga4^ix	1.79 (4)
O1—La1^i	2.37 (5)	O6—O4^v	2.77 (5)
O1—La2^xii	2.52 (5)	O6—O4^ix	3.12 (5)
O1—O4^i	3.43 (5)	O6—O4^i	4.13 (6)
O1—O4^ix	2.89 (6)	O6—O4^vii	5.53 (6)
O1—O4^v	2.83 (7)	O6—O4^iv	6.16 (5)
O1—O4^xxi	5.74 (7)	O7—Ga4^i	2.23 (6)
O2—Ga3^x	1.46 (5)	O7—O4^iv	3.25 (7)
O2—Ga2^ii	1.92 (5)	O7—O4^xv	3.55 (7)
O2—La2^xvii	2.54 (4)	O7—O4^v	4.21 (6)
O2—O4	3.63 (6)	O7—O4^i	5.16 (7)

Symmetry codes: (i) −x, y−1/2, −z+3/2; (ii) −x, y+1/2, −z+3/2; (iii) −x, y, −z+2; (iv) −x, y−1, −z+2; (v) x, y−1, z; (vi) x, y−1/2, z+1/2; (vii) −x+1, y−1, −z+2; (viii) x−1, y−1/2, z+1/2; (ix) −x+1, y−1/2, −z+3/2; (x) x+1, y, z; (xi) x−1, y, z; (xii) x, y+1/2, z−1/2; (xiii) −x−1, y−1/2, −z+3/2; (xiv) x−1, y+1/2, z−1/2; (xv) x−1, y−1, z; (xvi) −x−1, y, −z+2; (xvii) x, y+1, z; (xviii) x−1, y+1, z; (xix) −x+1, y+1/2, −z+3/2; (xx) x+1, y+1/2, z−1/2; (xxi) x, y−1/2, z−1/2; (xxii) x+1, y−1/2, z−1/2; (xxiii) −x+1, y, −z+2; (xxiv) −x, y+1, −z+2; (xxv) x+1, y+1, z; (xxvi) x, y+1/2, z+1/2; (xxvii) −x−1, y+1/2, −z+3/2; (xxviii) x+1, y+1/2, z+1/2; (xxix) −x+1, y+1, −z+2; (xxx) x−1, y+1/2, z+1/2; (xxxi) x, y+3/2, z−1/2.

(18.5d3split)

Crystal data

Ga5.50La3Nb0.50O14	V = 262.0 Å^3
Mr = 1070.65	Z = 1
?, ?	F(000) = 474
a = 7.783 Å	Dx = 6.786 Mg m^−3
b = 7.783 Å	? radiation, λ = 0.54920 Å
c = 4.994 Å	µ = 15.41 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.000
Graphite monochromator	θmax = 32.9°, θmin = 3.2°
305 measured reflections	h = −12→10
305 independent reflections	k = −9→8
286 reflections with I > 2σ(I)	l = −6→8

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.084	(Δ/σ)max < 0.001
wR(F^2) = 0.232	Δρmax = 2.49 e Å^−3
S = 1.72	Δρmin = −1.84 e Å^−3
305 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
30 parameters	Extinction coefficient: 0.009 (13)
0 restraints	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.0 (3)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La	0.4392 (5)	0.0000	0.0000	0.0334 (13)
Ga1	0.0000	0.0000	0.0000	0.035 (3)	0.50
Ga2	0.6667	0.3333	0.4912 (16)	0.036 (2)
Ga3	0.7655 (9)	0.0000	0.5000	0.0280 (16)
Nb	0.0000	0.0000	0.0000	0.035 (3)	0.50
O1	0.6667	0.3333	−0.161 (9)	0.022 (9)*
O2	0.725 (7)	0.175 (6)	0.311 (9)	0.030*	0.65 (5)
O21	0.491 (11)	0.425 (11)	0.400 (16)	0.030*	0.35 (5)
O3	0.149 (8)	−0.081 (7)	0.239 (6)	0.078 (14)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La	0.0416 (19)	0.0209 (18)	0.031 (2)	0.0104 (9)	0.0043 (7)	0.0086 (15)
Ga1	0.048 (4)	0.048 (4)	0.010 (5)	0.024 (2)	0.000	0.000
Ga2	0.044 (3)	0.044 (3)	0.020 (4)	0.0219 (17)	0.000	0.000
Ga3	0.026 (2)	0.042 (4)	0.021 (3)	0.0211 (19)	−0.0061 (12)	−0.012 (2)
Nb	0.048 (4)	0.048 (4)	0.010 (5)	0.024 (2)	0.000	0.000

Bond lengths (Å)

La—O21^i	2.20 (8)	O2—Ga3^xl	4.74 (4)
La—O21^ii	2.20 (8)	O2—O21^xxv	4.85 (9)
La—O3^iii	2.35 (5)	O2—O21^vii	4.67 (11)
La—O3	2.35 (5)	O2—O21^xxviii	4.59 (9)
La—O1	2.432 (14)	O2—O3^xli	4.88 (7)
La—O1^iv	2.432 (14)	O2—O3^xvii	4.79 (7)
La—O2	2.49 (4)	O2—O21^xix	4.94 (9)
La—O2^iii	2.49 (4)	O2—Ga3^xxv	4.99 (4)
La—O2^v	2.61 (4)	O2—O21^xviii	5.13 (10)
La—O2^iv	2.61 (4)	O2—O2^xxvi	4.9940
La—O21^vi	3.14 (8)	O2—O2^xiv	4.9940
La—O21^vii	3.14 (8)	O2—O2^xxx	4.83 (9)
Ga1—O3^viii	1.97 (5)	O2—O21^xlii	5.19 (9)
Ga1—O3^ix	1.97 (5)	O2—La^xliii	5.13 (4)
Ga1—O3^x	1.97 (5)	O2—O21^xxiv	5.09 (10)
Ga1—O3	1.97 (5)	O2—O3^xliv	5.14 (6)
Ga1—O3^xi	1.97 (5)	O2—O3^xlv	5.31 (6)
Ga1—O3^iii	1.97 (5)	O2—O3^v	5.11 (5)
Ga1—La^viii	3.418 (4)	O2—O2^xxvii	5.03 (6)
Ga1—La^x	3.418 (4)	O2—O2^iv	5.03 (6)
Ga1—O2^xii	3.43 (4)	O2—O2^xvii	5.29 (6)
Ga1—O2^v	3.43 (4)	O2—O2^vi	5.29 (6)
Ga1—O2^xiii	3.43 (4)	O2—O2^xxxviii	5.29 (7)
Ga2—O1^xiv	1.74 (4)	O2—O2^xlvi	5.29 (7)
Ga2—O2^i	1.76 (4)	O2—O3^xiii	5.04 (7)
Ga2—O2^v	1.76 (4)	O2—O3^xxxi	5.04 (7)
Ga2—O2	1.76 (4)	O2—O3^xlvii	5.37 (5)
Ga2—O21^v	1.89 (9)	O2—O21^xxii	5.28 (9)
Ga2—O21	1.89 (9)	O2—O3^ix	5.25 (7)
Ga2—O21^i	1.89 (9)	O2—La^xlvii	5.50 (4)
Ga2—O21^xv	2.76 (8)	O2—Ga2^iv	5.38 (4)
Ga2—O21^xvi	2.76 (9)	O21—O2^v	1.14 (9)
Ga2—O21^vi	2.76 (8)	O21—O21^xv	1.34 (16)
Ga2—O3^xvii	3.25 (5)	O21—Ga3^v	1.86 (7)
Ga2—O3^xviii	3.25 (5)	O21—O2^xvii	2.30 (9)
Ga3—O2^xviii	1.81 (4)	O21—La^v	2.20 (8)
Ga3—O2	1.81 (4)	O21—O2^i	2.32 (8)
Ga3—O3^xix	1.75 (4)	O21—O1^xiv	2.86 (9)
Ga3—O3^xx	1.75 (4)	O21—Ga2^xv	2.76 (8)
Ga3—O21^i	1.86 (7)	O21—O3^ix	2.88 (8)
Ga3—O21^vi	1.86 (7)	O21—O1^viii	2.96 (9)
Ga3—O3^i	2.55 (4)	O21—O3^xviii	3.02 (9)
Ga3—O3^vi	2.55 (4)	O21—O3^v	3.03 (9)
Ga3—Nb^xxi	3.093 (4)	O21—La^xliii	3.14 (8)
Ga3—Nb^xxii	3.093 (4)	O21—O21^v	3.18 (15)
Ga3—O1^iv	3.49 (2)	O21—O21^i	3.18 (15)
Ga3—O1^xiv	3.49 (2)	O21—O3^xvii	3.29 (9)
Nb—O3^viii	1.97 (5)	O21—O2^xlviii	3.25 (9)
Nb—O3^ix	1.97 (5)	O21—Ga3^xix	3.53 (8)
Nb—O3^x	1.97 (5)	O21—O3	3.57 (9)
Nb—O3	1.97 (5)	O21—Ga3^xlix	3.91 (7)
Nb—O3^xi	1.97 (5)	O21—O21^xvii	4.02 (4)
Nb—O3^iii	1.97 (5)	O21—O21^vi	4.02 (4)
Nb—Ga3^v	3.093 (4)	O21—O3^iii	4.01 (8)
Nb—Ga3^xii	3.093 (4)	O21—O21^xlviii	4.14 (5)
Nb—Ga3^xxiii	3.093 (4)	O21—O21^xvi	4.14 (5)
Nb—Ga3^xxiv	3.093 (4)	O21—O2^xiii	3.97 (8)
Nb—Ga3^xxv	3.093 (4)	O21—O3^xv	4.25 (9)
Nb—Ga3^iv	3.093 (4)	O21—O3^xiii	4.21 (9)
O1—Ga2^xxvi	1.74 (4)	O21—La^xiv	4.33 (8)
O1—La^v	2.432 (14)	O21—O21^viii	4.09 (17)
O1—La^xxvii	2.432 (14)	O21—La^xxvii	4.39 (8)
O1—O21^xxvi	2.86 (9)	O21—La^viii	4.36 (9)
O1—O21^xxiv	2.86 (9)	O21—O2^xv	4.40 (10)
O1—O21^vii	2.86 (9)	O21—Nb^xiv	4.68 (8)
O1—O2^vii	3.04 (6)	O21—Ga1^xiv	4.68 (8)
O1—O2^xxiv	3.04 (6)	O21—Ga3^xxv	4.65 (7)
O1—O2^xxvi	3.04 (6)	O21—O2^xix	4.85 (9)
O1—O2^i	2.80 (6)	O21—O1^xv	4.67 (9)
O1—O2	2.80 (6)	O21—O2^xliii	4.67 (11)
O1—O2^v	2.80 (6)	O21—Nb^xxxi	4.69 (7)
O1—O3^xiii	2.98 (5)	O21—Ga1^xxxi	4.69 (7)
O1—O3^iii	2.98 (5)	O21—O3^xxxi	4.69 (9)
O1—O3^xxvii	2.98 (5)	O21—O21^l	4.69 (15)
O1—O21^viii	2.96 (9)	O21—O21^li	4.69 (15)
O1—O21^xxviii	2.96 (9)	O21—O2^xxix	4.59 (9)
O1—O21^ii	2.96 (9)	O21—La^xix	4.93 (9)
O1—O21	3.35 (8)	O21—La^xv	4.90 (8)
O1—O21^v	3.35 (8)	O21—O2^xxv	4.94 (9)
O1—O21^i	3.35 (8)	O21—Ga3^xxiv	4.84 (8)
O1—Ga3^xxvii	3.49 (2)	O21—Ga2^xxvi	4.89 (8)
O1—Ga3^xxiv	3.49 (2)	O21—Ga3^xii	4.94 (8)
O1—Ga3^xxvi	3.49 (2)	O21—O2^xviii	5.13 (10)
O1—O2^xiii	3.67 (4)	O21—O3^lii	5.02 (9)
O1—O2^xxvii	3.67 (4)	O21—O21^xxvi	4.9940
O1—O2^iii	3.67 (4)	O21—O21^xiv	4.9940
O1—O3^i	4.20 (5)	O21—O3^xliii	5.11 (9)
O1—O3^v	4.20 (5)	O21—O3^viii	5.00 (10)
O1—O3	4.20 (5)	O21—O3^xix	5.12 (11)
O1—O2^xxix	4.41 (4)	O21—O2^xlix	5.19 (9)
O1—O2^xxx	4.41 (4)	O21—O2^xlv	5.09 (10)
O1—O2^iv	4.41 (4)	O21—Nb^liii	5.20 (8)
O1—Ga3^xix	4.49 (3)	O21—Ga1^liii	5.20 (8)
O1—Ga3^v	4.49 (3)	O21—La^xlix	5.09 (8)
O1—Ga1^xxxi	4.565 (8)	O21—O3^liv	5.23 (9)
O1—Nb^xxxi	4.565 (8)	O21—O3^x	5.19 (10)
O1—Ga1^xxii	4.565 (8)	O21—Ga2^viii	5.21 (8)
O1—Nb^xxii	4.565 (8)	O21—O2^xii	5.28 (9)
O1—O21^xv	4.67 (9)	O21—O3^xiv	5.45 (8)
O1—O21^xvi	4.67 (9)	O21—O3^lv	5.35 (9)
O1—O21^vi	4.67 (9)	O21—Ga2^xxv	5.42 (8)
O1—O3^vii	4.76 (5)	O21—O3^i	5.57 (10)
O1—O3^xxvi	4.76 (5)	O21—O2^xxiv	5.54 (10)
O1—O3^xxiv	4.76 (5)	O21—O1^iv	5.53 (8)
O1—O3^xxxi	4.66 (5)	O3—Ga3^xxv	1.75 (4)
O1—O3^xx	4.66 (5)	O3—Ga3^v	2.55 (4)
O1—O3^ix	4.66 (5)	O3—O3^iii	2.63 (7)
O1—La^xxiv	4.78 (4)	O3—O2^v	2.60 (6)
O1—La^xxxii	4.78 (4)	O3—O2^xxv	2.77 (5)
O1—La^xxvi	4.78 (4)	O3—O2^lvi	2.74 (5)
O1—Ga2^viii	4.787 (15)	O3—O3^ix	2.72 (9)
O1—Ga2^xxvii	4.787 (15)	O3—O3^x	2.72 (9)
O1—Ga2^iv	4.787 (15)	O3—O3^xviii	2.82 (6)
O1—O1^viii	4.77 (3)	O3—O21^x	2.88 (8)
O1—O1^xxvii	4.77 (3)	O3—O1^iv	2.98 (5)
O1—O1^iv	4.77 (3)	O3—O21^xviii	3.02 (9)
O1—O1^xiv	4.9940	O3—O21^i	3.03 (9)
O1—O1^xxvi	4.9940	O3—O3^xi	3.12 (8)
O1—Ga3^xxxiii	5.138 (15)	O3—O21^vi	3.29 (9)
O1—Ga3^iv	5.138 (15)	O3—O2^iv	3.19 (5)
O1—Ga3^xxxiv	5.138 (15)	O3—Ga2^xxv	3.25 (5)
O1—O3^xxxv	5.17 (5)	O3—O3^lv	3.29 (8)
O1—O3^xxxvi	5.17 (5)	O3—La^iv	3.52 (4)
O1—O3^xxxvii	5.17 (5)	O3—Ga3^xii	3.59 (5)
O1—O3^viii	5.26 (5)	O3—Ga3^iv	3.88 (3)
O1—O3^xxviii	5.26 (5)	O3—O3^viii	3.91 (9)
O1—O3^ii	5.26 (5)	O3—O3^xv	4.04 (9)
O1—O2^xix	5.56 (5)	O3—O21^iii	4.01 (8)
O1—O2^xvii	5.56 (5)	O3—Ga1^xiv	4.11 (3)
O1—O2^xviii	5.56 (5)	O3—Nb^xiv	4.11 (3)
O1—O21^xiii	5.53 (8)	O3—O2^xviii	4.20 (7)
O1—O21^xxvii	5.53 (8)	O3—La^x	4.17 (5)
O1—O21^iii	5.53 (8)	O3—O2^xvii	4.36 (6)
O1—O3^xvii	5.47 (5)	O3—O21^xv	4.25 (9)
O2—O21^i	1.14 (9)	O3—O21^ii	4.21 (9)
O2—O21^vi	2.30 (9)	O3—Ga3^xxiv	4.30 (3)
O2—O21^v	2.32 (8)	O3—La^xiv	4.30 (4)
O2—O3^i	2.60 (6)	O3—Ga2^lvii	4.40 (5)
O2—O3^xix	2.77 (5)	O3—La^v	4.54 (4)
O2—O3^xx	2.74 (5)	O3—O2^iii	4.49 (6)
O2—O2^xviii	3.02 (8)	O3—O2^xiii	4.64 (6)
O2—La^xxvii	2.61 (4)	O3—O2^xii	4.64 (7)
O2—O2^i	2.62 (7)	O3—Ga2^iv	4.70 (4)
O2—O2^v	2.62 (7)	O3—O1^xiv	4.76 (5)
O2—O1^xiv	3.04 (6)	O3—O1^lvii	4.66 (5)
O2—O3^xxvii	3.19 (5)	O3—O21^lvii	4.69 (9)
O2—O21^xvi	3.25 (9)	O3—O2^lviii	4.88 (7)
O2—O21	3.30 (9)	O3—La^viii	4.88 (5)
O2—Nb^xxii	3.43 (4)	O3—O2^vi	4.79 (7)
O2—Ga1^xxii	3.43 (4)	O3—Ga3^xxiii	4.98 (4)
O2—O1^iv	3.67 (4)	O3—O21^lix	5.02 (9)
O2—Ga2^xxv	3.72 (4)	O3—O3^xiv	4.9940
O2—Ga3^xxxviii	3.87 (4)	O3—O3^xxvi	4.9940
O2—La^xiv	3.95 (4)	O3—O21^vii	5.11 (9)
O2—O3	3.91 (7)	O3—O21^viii	5.00 (10)
O2—O2^iii	3.90 (8)	O3—O21^xxv	5.12 (11)
O2—La^xix	4.03 (4)	O3—La^xxv	5.04 (4)
O2—O2^xxxix	4.15 (9)	O3—O3^xx	5.12 (9)
O2—O21^ii	3.97 (8)	O3—O3^lvi	5.12 (9)
O2—O3^xviii	4.20 (7)	O3—O2^lx	5.14 (6)
O2—Ga3^xix	4.09 (4)	O3—O2^xxiv	5.31 (6)
O2—Ga3^v	4.18 (4)	O3—O2^i	5.11 (5)
O2—O3^vi	4.36 (6)	O3—O2^ii	5.04 (7)
O2—La^v	4.11 (4)	O3—O1^lxi	5.17 (5)
O2—O2^xix	4.38 (4)	O3—O2^lvii	5.04 (7)
O2—O2^xxv	4.38 (4)	O3—Ga2^xxvi	5.25 (4)
O2—Ga3^xxvi	4.33 (4)	O3—O1^viii	5.26 (5)
O2—O21^xv	4.40 (10)	O3—O2^lxii	5.37 (5)
O2—Ga1^xxi	4.60 (4)	O3—O21^lxiii	5.23 (9)
O2—Nb^xxi	4.60 (4)	O3—O21^ix	5.19 (10)
O2—O1^xxvii	4.41 (4)	O3—La^xx	5.33 (5)
O2—Ga2^xxvi	4.37 (4)	O3—O2^x	5.25 (7)
O2—La^xx	4.56 (4)	O3—O21^xxvi	5.45 (8)
O2—Ga2^xix	4.46 (4)	O3—O21^lv	5.35 (9)
O2—O3^iii	4.49 (6)	O3—Ga2^xv	5.42 (4)
O2—O3^ii	4.64 (6)	O3—O21^v	5.57 (10)
O2—O3^xxii	4.64 (7)

Symmetry codes: (i) −y+1, x−y, z; (ii) −x+1, −x+y, −z; (iii) x−y, −y, −z; (iv) y, x−1, −z; (v) −x+y+1, −x+1, z; (vi) −x+1, −x+y, −z+1; (vii) −y+1, x−y, z−1; (viii) y, x, −z; (ix) −y, x−y, z; (x) −x+y, −x, z; (xi) −x, −x+y, −z; (xii) x−1, y, z; (xiii) −x+1, −x+y+1, −z; (xiv) x, y, z+1; (xv) y, x, −z+1; (xvi) x−y+1, −y+1, −z+1; (xvii) −x+1, −x+y+1, −z+1; (xviii) x−y, −y, −z+1; (xix) y+1, x, −z+1; (xx) −x+y+1, −x, z; (xxi) x+1, y, z+1; (xxii) x+1, y, z; (xxiii) x−1, y, z−1; (xxiv) −x+y+1, −x+1, z−1; (xxv) y, x−1, −z+1; (xxvi) x, y, z−1; (xxvii) y+1, x, −z; (xxviii) x−y+1, −y+1, −z; (xxix) x−y, −y+1, −z; (xxx) −x+2, −x+y+1, −z; (xxxi) x+1, y+1, z; (xxxii) y+1, x, −z−1; (xxxiii) x, y+1, z−1; (xxxiv) −x+y+2, −x+1, z−1; (xxxv) −x+y+1, −x, z−1; (xxxvi) x+1, y+1, z−1; (xxxvii) −y, x−y, z−1; (xxxviii) −x+y+2, −x+1, z; (xxxix) −x+2, −x+y+1, −z+1; (xl) y+1, x−1, −z+1; (xli) x−y+1, −y, −z+1; (xlii) x, y−1, z; (xliii) −x+y+1, −x+1, z+1; (xliv) x−y+1, −y, −z; (xlv) −y+1, x−y, z+1; (xlvi) −y+1, x−y−1, z; (xlvii) −x+y+1, −x, z+1; (xlviii) x−y, −y+1, −z+1; (xlix) x, y+1, z; (l) −y+1, x−y+1, z; (li) −x+y, −x+1, z; (lii) −y, x−y, z+1; (liii) x+1, y+1, z+1; (liv) y+1, x+1, −z+1; (lv) −x, −x+y, −z+1; (lvi) −y, x−y−1, z; (lvii) x−1, y−1, z; (lviii) x−y−1, −y, −z+1; (lix) −x+y, −x, z−1; (lx) x−y−1, −y, −z; (lxi) x−1, y−1, z+1; (lxii) −y, x−y−1, z−1; (lxiii) y−1, x−1, −z+1.

(2.3d3)

Crystal data

Ga5.54La3O14Ta0.46	V = 294.5 Å^3
Mr = 1110.22	Z = 1
?, ?	F(000) = 488
a = 8.167 Å	Dx = 6.260 Mg m^−3
b = 8.167 Å	? radiation, λ = 0.55880 Å
c = 5.098 Å	µ = 14.47 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.000
Graphite monochromator	θmax = 24.6°, θmin = 3.1°
412 measured reflections	h = −7→7
412 independent reflections	k = −12→12
412 reflections with I > 2σ(I)	l = −7→7

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.040	(Δ/σ)max < 0.001
wR(F^2) = 0.107	Δρmax = 2.05 e Å^−3
S = 0.97	Δρmin = −2.21 e Å^−3
412 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
39 parameters	Extinction coefficient: 0.045 (10)
0 restraints	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.13 (7)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La	−0.42650 (12)	0.0000	0.0000	0.0069 (4)
Ga1	0.0000	0.0000	0.0000	0.0059 (4)	0.50
Ta	0.0000	0.0000	0.0000	0.0059 (4)	0.50
Ga2	−0.6667	−0.3333	0.4690 (3)	0.0064 (5)
Ga3	−0.7627 (3)	0.0000	−0.5000	0.0086 (4)
O1	−0.3333	0.3333	0.177 (2)	0.011 (3)
O2	−0.6905 (16)	−0.1474 (12)	0.3039 (15)	0.010 (2)
O3	−0.1432 (14)	0.0766 (17)	0.2387 (12)	0.011 (2)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La	0.0079 (5)	0.0069 (5)	0.0055 (4)	0.0035 (3)	−0.00014 (15)	−0.0003 (3)
Ga1	0.0073 (6)	0.0073 (6)	0.0032 (5)	0.0037 (3)	0.000	0.000
Ta	0.0073 (6)	0.0073 (6)	0.0032 (5)	0.0037 (3)	0.000	0.000
Ga2	0.0080 (8)	0.0080 (8)	0.0031 (6)	0.0040 (4)	0.000	0.000
Ga3	0.0076 (8)	0.0097 (14)	0.0092 (6)	0.0048 (7)	0.0029 (3)	0.0058 (6)
O1	0.012 (5)	0.012 (5)	0.009 (4)	0.006 (3)	0.000	0.000
O2	0.016 (5)	0.009 (4)	0.010 (3)	0.010 (5)	−0.004 (3)	−0.002 (2)
O3	0.008 (5)	0.016 (5)	0.012 (3)	0.009 (4)	0.000 (3)	−0.008 (4)

Geometric parameters (Å, º)

La—O3	2.404 (9)	Ta—O3^vi	1.993 (8)
La—O3^i	2.404 (9)	Ta—O3	1.993 (8)
La—O2^i	2.430 (11)	Ta—O3^vii	1.993 (8)
La—O2	2.430 (11)	Ta—O3^viii	1.993 (8)
La—O1^ii	2.595 (4)	Ta—La^vi	3.4833 (9)
La—O1	2.595 (4)	Ta—La^viii	3.4834 (9)
La—O2^iii	2.868 (9)	Ga2—O1^ix	1.804 (13)
La—O2^iv	2.868 (9)	Ga2—O2^x	1.830 (9)
La—Ga2	3.4113 (13)	Ga2—O2	1.830 (9)
La—Ga2^iv	3.4114 (13)	Ga2—O2^iii	1.830 (9)
La—Ta	3.4834 (9)	Ga2—La^iii	3.4113 (13)
La—Ga1	3.4834 (9)	Ga2—La^ii	3.4114 (13)
Ga1—O3^i	1.993 (8)	Ga3—O3^ii	1.825 (8)
Ga1—O3^v	1.993 (8)	Ga3—O3^xi	1.825 (8)
Ga1—O3^vi	1.993 (8)	Ga3—O2^xii	1.872 (10)
Ga1—O3	1.993 (8)	Ga3—O2^i	1.872 (10)
Ga1—O3^vii	1.993 (8)	O1—Ga2^xiii	1.804 (13)
Ga1—O3^viii	1.993 (8)	O1—La^iv	2.595 (4)
Ga1—La^vi	3.4833 (9)	O1—La^xiv	2.595 (4)
Ga1—La^viii	3.4834 (9)	O2—Ga3^xv	1.872 (10)
Ta—O3^i	1.993 (8)	O2—La^ii	2.868 (9)
Ta—O3^v	1.993 (8)	O3—Ga3^iv	1.825 (8)
O3—La—O3^i	67.3 (4)	O3^viii—Ga1—La^viii	41.9 (2)
O3—La—O2^i	139.3 (4)	La^vi—Ga1—La^viii	120.0
O3^i—La—O2^i	107.8 (3)	O3^i—Ga1—La	41.9 (2)
O3—La—O2	107.8 (3)	O3^v—Ga1—La	97.8 (3)
O3^i—La—O2	139.3 (4)	O3^vi—Ga1—La	127.4 (3)
O2^i—La—O2	100.5 (5)	O3—Ga1—La	41.9 (2)
O3—La—O1^ii	125.0 (3)	O3^vii—Ga1—La	97.8 (3)
O3^i—La—O1^ii	79.1 (3)	O3^viii—Ga1—La	127.4 (3)
O2^i—La—O1^ii	91.1 (2)	La^vi—Ga1—La	120.0
O2—La—O1^ii	71.6 (3)	La^viii—Ga1—La	120.0
O3—La—O1	79.1 (3)	O3^i—Ta—O3^v	105.2 (7)
O3^i—La—O1	125.0 (3)	O3^i—Ta—O3^vi	86.6 (3)
O2^i—La—O1	71.6 (3)	O3^v—Ta—O3^vi	83.9 (5)
O2—La—O1	91.1 (2)	O3^i—Ta—O3	83.9 (5)
O1^ii—La—O1	153.25 (6)	O3^v—Ta—O3	86.6 (3)
O3—La—O2^iii	66.7 (4)	O3^vi—Ta—O3	164.3 (7)
O3^i—La—O2^iii	78.9 (3)	O3^i—Ta—O3^vii	86.6 (3)
O2^i—La—O2^iii	153.98 (15)	O3^v—Ta—O3^vii	164.3 (6)
O2—La—O2^iii	63.6 (4)	O3^vi—Ta—O3^vii	86.6 (3)
O1^ii—La—O2^iii	64.9 (3)	O3—Ta—O3^vii	105.2 (7)
O1—La—O2^iii	126.0 (3)	O3^i—Ta—O3^viii	164.3 (6)
O3—La—O2^iv	78.9 (3)	O3^v—Ta—O3^viii	86.6 (3)
O3^i—La—O2^iv	66.7 (4)	O3^vi—Ta—O3^viii	105.2 (7)
O2^i—La—O2^iv	63.5 (4)	O3—Ta—O3^viii	86.6 (3)
O2—La—O2^iv	153.97 (15)	O3^vii—Ta—O3^viii	83.9 (5)
O1^ii—La—O2^iv	126.0 (3)	O3^i—Ta—La^vi	97.8 (3)
O1—La—O2^iv	64.9 (3)	O3^v—Ta—La^vi	41.9 (2)
O2^iii—La—O2^iv	138.5 (4)	O3^vi—Ta—La^vi	41.9 (2)
O3—La—Ga2	87.0 (2)	O3—Ta—La^vi	127.4 (3)
O3^i—La—Ga2	110.2 (3)	O3^vii—Ta—La^vi	127.4 (3)
O2^i—La—Ga2	129.1 (2)	O3^viii—Ta—La^vi	97.8 (3)
O2—La—Ga2	31.1 (2)	O3^i—Ta—La^viii	127.4 (3)
O1^ii—La—Ga2	64.9 (3)	O3^v—Ta—La^viii	127.4 (3)
O1—La—Ga2	110.1 (2)	O3^vi—Ta—La^viii	97.8 (3)
O2^iii—La—Ga2	32.44 (19)	O3—Ta—La^viii	97.8 (3)
O2^iv—La—Ga2	165.60 (17)	O3^vii—Ta—La^viii	41.9 (2)
O3—La—Ga2^iv	110.2 (3)	O3^viii—Ta—La^viii	41.9 (2)
O3^i—La—Ga2^iv	87.0 (2)	La^vi—Ta—La^viii	120.0
O2^i—La—Ga2^iv	31.1 (2)	O3^i—Ta—La	41.9 (2)
O2—La—Ga2^iv	129.1 (2)	O3^v—Ta—La	97.8 (3)
O1^ii—La—Ga2^iv	110.1 (2)	O3^vi—Ta—La	127.4 (3)
O1—La—Ga2^iv	64.9 (3)	O3—Ta—La	41.9 (2)
O2^iii—La—Ga2^iv	165.60 (17)	O3^vii—Ta—La	97.8 (3)
O2^iv—La—Ga2^iv	32.44 (19)	O3^viii—Ta—La	127.4 (3)
Ga2—La—Ga2^iv	159.73 (3)	La^vi—Ta—La	120.0
O3—La—Ta	33.66 (18)	La^viii—Ta—La	120.0
O3^i—La—Ta	33.66 (18)	O1^ix—Ga2—O2^x	117.4 (3)
O2^i—La—Ta	129.8 (2)	O1^ix—Ga2—O2	117.4 (3)
O2—La—Ta	129.8 (2)	O2^x—Ga2—O2	100.5 (3)
O1^ii—La—Ta	103.37 (3)	O1^ix—Ga2—O2^iii	117.4 (3)
O1—La—Ta	103.37 (3)	O2^x—Ga2—O2^iii	100.5 (3)
O2^iii—La—Ta	69.3 (2)	O2—Ga2—O2^iii	100.5 (3)
O2^iv—La—Ta	69.3 (2)	O1^ix—Ga2—La^iii	134.50 (2)
Ga2—La—Ta	100.135 (15)	O2^x—Ga2—La^iii	57.2 (3)
Ga2^iv—La—Ta	100.136 (15)	O2—Ga2—La^iii	107.6 (3)
O3—La—Ga1	33.66 (18)	O2^iii—Ga2—La^iii	43.3 (4)
O3^i—La—Ga1	33.66 (18)	O1^ix—Ga2—La	134.50 (2)
O2^i—La—Ga1	129.8 (2)	O2^x—Ga2—La	107.6 (3)
O2—La—Ga1	129.8 (2)	O2—Ga2—La	43.3 (4)
O1^ii—La—Ga1	103.37 (3)	O2^iii—Ga2—La	57.2 (3)
O1—La—Ga1	103.37 (3)	La^iii—Ga2—La	76.29 (3)
O2^iii—La—Ga1	69.3 (2)	O1^ix—Ga2—La^ii	134.51 (2)
O2^iv—La—Ga1	69.3 (2)	O2^x—Ga2—La^ii	43.3 (4)
Ga2—La—Ga1	100.135 (15)	O2—Ga2—La^ii	57.2 (3)
Ga2^iv—La—Ga1	100.136 (15)	O2^iii—Ga2—La^ii	107.6 (3)
Ta—La—Ga1	0.0	La^iii—Ga2—La^ii	76.29 (3)
O3^i—Ga1—O3^v	105.2 (7)	La—Ga2—La^ii	76.29 (3)
O3^i—Ga1—O3^vi	86.6 (3)	O3^ii—Ga3—O3^xi	133.0 (7)
O3^v—Ga1—O3^vi	83.9 (5)	O3^ii—Ga3—O2^xii	109.5 (4)
O3^i—Ga1—O3	83.9 (5)	O3^xi—Ga3—O2^xii	100.0 (4)
O3^v—Ga1—O3	86.6 (3)	O3^ii—Ga3—O2^i	100.0 (4)
O3^vi—Ga1—O3	164.3 (7)	O3^xi—Ga3—O2^i	109.5 (4)
O3^i—Ga1—O3^vii	86.6 (3)	O2^xii—Ga3—O2^i	101.0 (6)
O3^v—Ga1—O3^vii	164.3 (6)	Ga2^xiii—O1—La^iv	110.4 (3)
O3^vi—Ga1—O3^vii	86.6 (3)	Ga2^xiii—O1—La	110.4 (3)
O3—Ga1—O3^vii	105.2 (7)	La^iv—O1—La	108.6 (3)
O3^i—Ga1—O3^viii	164.3 (6)	Ga2^xiii—O1—La^xiv	110.4 (3)
O3^v—Ga1—O3^viii	86.6 (3)	La^iv—O1—La^xiv	108.6 (3)
O3^vi—Ga1—O3^viii	105.2 (7)	La—O1—La^xiv	108.6 (3)
O3—Ga1—O3^viii	86.6 (3)	Ga2—O2—Ga3^xv	119.1 (4)
O3^vii—Ga1—O3^viii	83.9 (5)	Ga2—O2—La	105.6 (5)
O3^i—Ga1—La^vi	97.8 (3)	Ga3^xv—O2—La	120.6 (4)
O3^v—Ga1—La^vi	41.9 (2)	Ga2—O2—La^ii	90.3 (3)
O3^vi—Ga1—La^vi	41.9 (2)	Ga3^xv—O2—La^ii	111.3 (5)
O3—Ga1—La^vi	127.4 (3)	La—O2—La^ii	105.1 (3)
O3^vii—Ga1—La^vi	127.4 (3)	Ga3^iv—O3—Ta	113.9 (5)
O3^viii—Ga1—La^vi	97.8 (3)	Ga3^iv—O3—Ga1	113.9 (5)
O3^i—Ga1—La^viii	127.4 (3)	Ta—O3—Ga1	0.0
O3^v—Ga1—La^viii	127.4 (3)	Ga3^iv—O3—La	138.1 (5)
O3^vi—Ga1—La^viii	97.8 (3)	Ta—O3—La	104.4 (3)
O3—Ga1—La^viii	97.8 (3)	Ga1—O3—La	104.4 (3)
O3^vii—Ga1—La^viii	41.9 (2)

Symmetry codes: (i) x−y, −y, −z; (ii) y−1, x, −z; (iii) −x+y−1, −x−1, z; (iv) y, x+1, −z; (v) −y, x−y, z; (vi) y, x, −z; (vii) −x, −x+y, −z; (viii) −x+y, −x, z; (ix) y−1, x, −z+1; (x) −y−1, x−y, z; (xi) −x+y−1, −x, z−1; (xii) x, y, z−1; (xiii) y, x+1, −z+1; (xiv) −x+y−1, −x, z; (xv) x, y, z+1.

(21.85split)

Crystal data

Ga5.50La3Nb0.50O14	V = 255.6 Å^3
Mr = 1070.65	Z = 1
?, ?	F(000) = 474
a = 7.695 Å	Dx = 6.955 Mg m^−3
b = 7.695 Å	? radiation, λ = 0.54920 Å
c = 4.985 Å	µ = 15.79 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.000
Graphite monochromator	θmax = 29.8°, θmin = 2.4°
283 measured reflections	h = −10→10
283 independent reflections	k = −7→8
275 reflections with I > 2σ(I)	l = −7→7

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.143	(Δ/σ)max = 0.581
wR(F^2) = 0.348	Δρmax = 3.90 e Å^−3
S = 2.31	Δρmin = −2.50 e Å^−3
283 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
32 parameters	Extinction coefficient: 0.06 (4)
0 restraints	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.1 (5)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La	0.4379 (9)	0.0000	0.0000	0.050 (2)
Ga1	0.0000	0.0000	0.0000	0.055 (5)	0.50
Ga2	0.6667	0.3333	0.494 (3)	0.059 (4)
Ga3	0.7675 (12)	0.0000	0.5000	0.046 (3)
Nb	0.0000	0.0000	0.0000	0.055 (5)	0.50
O1	0.6667	0.3333	−0.11 (3)	0.09 (4)*
O2	0.710 (8)	0.122 (9)	0.369 (12)	0.020*	0.53 (6)
O21	0.504 (10)	0.467 (10)	0.542 (14)	0.020*	0.47 (6)
O3	0.157 (6)	−0.066 (7)	0.232 (12)	0.059 (13)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La	0.065 (4)	0.031 (3)	0.044 (4)	0.0154 (13)	0.0066 (12)	0.013 (2)
Ga1	0.060 (7)	0.060 (7)	0.047 (12)	0.030 (3)	0.000	0.000
Ga2	0.070 (6)	0.070 (6)	0.036 (9)	0.035 (3)	0.000	0.000
Ga3	0.038 (4)	0.058 (6)	0.048 (7)	0.029 (3)	−0.006 (2)	−0.013 (5)
Nb	0.060 (7)	0.060 (7)	0.047 (12)	0.030 (3)	0.000	0.000

Bond lengths (Å)

La—O21^i	2.77 (7)	O2—O21^xix	4.17 (10)
La—O21^ii	2.77 (7)	O2—O21^vii	4.29 (10)
La—O3	2.27 (5)	O2—Ga3^xlii	4.35 (6)
La—O3^iii	2.27 (5)	O2—O21^xxviii	5.39 (8)
La—O1	2.34 (4)	O2—Ga3^xix	4.78 (6)
La—O1^iv	2.34 (4)	O2—O21^xvii	4.91 (8)
La—O2	2.59 (6)	O2—O3^xxxviii	5.02 (7)
La—O2^iii	2.59 (6)	O2—O3^xliii	4.63 (6)
La—O2^v	2.98 (6)	O2—O21^xvi	5.06 (9)
La—O2^iv	2.98 (6)	O2—O2^xxv	4.9850
La—O21^vi	2.37 (7)	O2—O2^xiii	4.9850
La—O21^vii	2.37 (7)	O2—O2^xxix	5.34 (12)
Ga1—O3^viii	1.92 (5)	O2—O21^xxiv	4.85 (9)
Ga1—O3	1.92 (5)	O2—La^xliv	5.15 (6)
Ga1—O3^ix	1.92 (5)	O2—O2^iv	5.45 (9)
Ga1—O3^x	1.92 (5)	O2—O2^xxvi	5.45 (9)
Ga1—O3^iii	1.92 (5)	O2—O2^vi	4.93 (7)
Ga1—O3^xi	1.92 (5)	O2—O2^xxxviii	4.93 (7)
Ga1—La^viii	3.369 (7)	O2—O3^v	5.35 (7)
Ga1—La^xi	3.369 (7)	O2—O3^xxvii	5.50 (7)
Ga1—O2^xii	3.37 (6)	O2—O3^xxxix	5.15 (8)
Ga1—O2^v	3.37 (6)	O2—O21^xlv	4.55 (9)
Ga1—O2^iv	3.37 (6)	O2—O3^xlvi	4.95 (8)
Ga2—O2^v	1.92 (6)	O2—O3^xxxi	5.46 (7)
Ga2—O2^i	1.92 (6)	O2—O3^ix	5.43 (8)
Ga2—O2	1.92 (6)	O2—O3^xlvii	4.95 (9)
Ga2—O1^xiii	1.97 (15)	O2—O2^xlviii	4.89 (11)
Ga2—O21	1.99 (7)	O2—O2^xl	4.89 (11)
Ga2—O21^i	1.99 (7)	O2—Ga2^iv	5.39 (6)
Ga2—O21^v	1.99 (7)	O2—La^xlvii	4.98 (6)
Ga2—O21^vi	2.48 (7)	O2—O21^xxi	5.38 (10)
Ga2—O21^xiv	2.48 (7)	O21—O2^v	1.46 (8)
Ga2—O21^xv	2.48 (7)	O21—O21^xv	0.65 (12)
Ga2—Ga3	3.029 (7)	O21—Ga3^v	1.97 (6)
Ga2—Ga3^xvi	3.029 (7)	O21—O2^xxxviii	1.55 (9)
Ga3—O2^xvii	1.39 (6)	O21—La^v	2.77 (7)
Ga3—O2	1.39 (6)	O21—O2^i	2.68 (9)
Ga3—O3^xvi	1.83 (5)	O21—O1^xiii	2.63 (12)
Ga3—O3^xviii	1.83 (5)	O21—Ga2^xv	2.48 (7)
Ga3—O21^i	1.97 (6)	O21—O21^v	3.42 (12)
Ga3—O21^vi	1.97 (6)	O21—O21^i	3.42 (12)
Ga3—O3^vi	2.47 (5)	O21—O1^xi	3.27 (11)
Ga3—O3^i	2.47 (5)	O21—La^xliv	2.37 (7)
Ga3—Ga2^xix	3.029 (7)	O21—O3^ix	3.31 (8)
Ga3—Nb^xx	3.068 (6)	O21—O3^v	3.01 (9)
Ga3—Nb^xxi	3.068 (6)	O21—O3^xvii	2.96 (7)
Nb—O3^viii	1.92 (5)	O21—O3^xxxviii	2.75 (7)
Nb—O3	1.92 (5)	O21—O2^xlix	2.93 (8)
Nb—O3^ix	1.92 (5)	O21—Ga3^xvi	3.34 (7)
Nb—O3^x	1.92 (5)	O21—O3	3.92 (8)
Nb—O3^iii	1.92 (5)	O21—Ga3^l	3.56 (6)
Nb—O3^xi	1.92 (5)	O21—O21^vi	3.870 (15)
Nb—Ga3^xix	3.068 (6)	O21—O21^xxxviii	3.870 (15)
Nb—Ga3^v	3.068 (6)	O21—O3^iii	4.73 (9)
Nb—Ga3^xxii	3.068 (6)	O21—O21^xiv	3.89 (2)
Nb—Ga3^iv	3.068 (6)	O21—O21^xlix	3.90 (2)
Nb—Ga3^xxiii	3.068 (6)	O21—O2^xxvii	4.78 (9)
Nb—Ga3^xxiv	3.068 (6)	O21—O3^xxvii	4.60 (8)
O1—Ga2^xxv	1.97 (15)	O21—La^xiii	4.07 (6)
O1—La^xxvi	2.34 (4)	O21—O3^xv	3.97 (9)
O1—La^v	2.34 (4)	O21—O21^xi	5.42 (14)
O1—O21^xxv	2.63 (12)	O21—La^xxvi	4.77 (8)
O1—O21^vii	2.63 (12)	O21—O2^xv	4.22 (10)
O1—O21^xxiv	2.63 (12)	O21—La^xi	4.64 (6)
O1—O2^i	3.00 (12)	O21—O2^xvi	4.17 (10)
O1—O2	3.00 (12)	O21—O2^xliv	4.29 (10)
O1—O2^v	3.00 (12)	O21—O1^xv	3.76 (13)
O1—O2^xxv	3.16 (13)	O21—Ga3^xix	4.81 (7)
O1—O2^xxiv	3.16 (13)	O21—Ga1^xiii	4.39 (7)
O1—O2^vii	3.16 (13)	O21—Nb^xiii	4.39 (7)
O1—O3^xxvi	3.03 (6)	O21—O3^xxxi	4.74 (10)
O1—O3^iii	3.03 (6)	O21—Ga1^xxxi	4.80 (7)
O1—O3^xxvii	3.03 (6)	O21—Nb^xxxi	4.80 (7)
O1—O21^ii	3.27 (11)	O21—O21^li	4.28 (12)
O1—O21^xxviii	3.27 (11)	O21—O21^lii	4.28 (12)
O1—O21^xi	3.27 (11)	O21—La^xvi	4.55 (6)
O1—O21^v	3.81 (15)	O21—O2^xxx	5.39 (8)
O1—O21^i	3.81 (15)	O21—La^xv	4.41 (8)
O1—O21	3.81 (15)	O21—O2^xvii	4.91 (8)
O1—Ga3^xxv	3.60 (8)	O21—O3^liii	4.51 (10)
O1—Ga3^xxiv	3.60 (8)	O21—O3^xliv	4.31 (9)
O1—Ga3^xxvi	3.60 (8)	O21—Ga3^xxiv	5.55 (7)
O1—O2^iii	3.49 (7)	O21—Ga2^xxv	5.58 (8)
O1—O2^xxvi	3.49 (7)	O21—O2^xix	5.06 (9)
O1—O2^xxvii	3.49 (7)	O21—Ga3^xxii	4.97 (7)
O1—O3^i	3.96 (8)	O21—O3^xi	5.42 (7)
O1—O3	3.96 (8)	O21—O21^xiii	4.9850
O1—O3^v	3.96 (8)	O21—O21^xxv	4.9850 (1)
O1—Ga3^xvi	4.29 (11)	O21—O2^xlvi	4.85 (9)
O1—Ga3^v	4.29 (11)	O21—Ga1^liv	4.58 (6)
O1—O2^iv	4.71 (8)	O21—Nb^liv	4.58 (6)
O1—O2^xxix	4.71 (8)	O21—O3^xvi	5.08 (7)
O1—O2^xxx	4.71 (8)	O21—O2^l	4.55 (9)
O1—Ga1^xxi	4.477 (18)	O21—La^l	5.14 (6)
O1—Nb^xxi	4.477 (18)	O21—O3^lv	4.78 (8)
O1—Nb^xxxi	4.477 (18)	O21—O3^viii	5.47 (7)
O1—Ga1^xxxi	4.477 (18)	O21—O3^xiii	4.98 (10)
O1—O21^vi	3.76 (13)	O21—Ga2^xi	5.72 (7)
O1—O21^xiv	3.76 (13)	O21—O3^lvi	5.32 (8)
O1—O21^xv	3.76 (13)	O21—Ga2^xix	5.62 (7)
O1—O3^xviii	4.59 (7)	O21—O2^xxii	5.38 (10)
O1—O3^xxxi	4.59 (7)	O21—O3^i	5.72 (9)
O1—O3^ix	4.59 (7)	O21—O1^iv	6.01 (8)
O1—O1^xi	4.58 (7)	O21—O2^xiii	5.55 (9)
O1—O1^iv	4.58 (7)	O3—Ga3^xix	1.83 (5)
O1—O1^xxvi	4.58 (7)	O3—O3^iii	2.47 (11)
O1—Ga2^xi	4.84 (6)	O3—Ga3^v	2.47 (5)
O1—Ga2^iv	4.84 (6)	O3—O3^viii	2.65 (8)
O1—Ga2^xxvi	4.84 (6)	O3—O3^ix	2.65 (8)
O1—La^xxv	4.98 (13)	O3—O2^v	2.54 (7)
O1—La^xxxii	4.98 (13)	O3—O2^xii	2.54 (7)
O1—La^xxiv	4.98 (13)	O3—O2^xix	2.55 (8)
O1—O3^vii	4.85 (11)	O3—O3^x	3.12 (10)
O1—O3^xxv	4.85 (11)	O3—O3^xvii	2.82 (12)
O1—O3^xxiv	4.85 (11)	O3—O1^iv	3.03 (6)
O1—O1^xiii	4.9850	O3—O21^viii	3.31 (8)
O1—O1^xxv	4.9850	O3—O21^i	3.02 (9)
O1—Ga3^iv	5.17 (6)	O3—O21^xvii	2.96 (7)
O1—Ga3^xxxiii	5.17 (6)	O3—O2^iv	3.40 (9)
O1—Ga3^xxxiv	5.17 (6)	O3—O21^vi	2.75 (7)
O1—O3^ii	5.14 (5)	O3—Ga2^xix	3.27 (4)
O1—O3^xi	5.14 (5)	O3—O3^lvi	3.40 (11)
O1—O3^xxviii	5.14 (5)	O3—La^iv	3.57 (5)
O1—O3^xxxv	5.38 (10)	O3—Ga3^xxii	3.55 (5)
O1—O3^xxxvi	5.38 (10)	O3—O3^xi	3.77 (10)
O1—O3^xxxvii	5.38 (10)	O3—Ga3^iv	3.85 (6)
O1—O2^xvii	4.92 (14)	O3—O21^iii	4.73 (9)
O1—O2^xvi	4.92 (14)	O3—O3^xv	4.00 (11)
O1—O2^xxxviii	4.92 (14)	O3—La^viii	4.17 (4)
O1—O21^xxvi	6.01 (8)	O3—Ga3^xxiv	4.19 (5)
O1—O21^iii	6.01 (8)	O3—O21^ii	4.60 (8)
O1—O21^xxvii	6.01 (8)	O3—O2^xvii	4.07 (7)
O1—O3^xxxix	5.63 (5)	O3—Ga1^xiii	4.12 (6)
O2—O21^i	1.46 (8)	O3—Nb^xiii	4.12 (6)
O2—O21^vi	1.55 (9)	O3—O21^xv	3.97 (9)
O2—O21^v	2.68 (9)	O3—O2^xxxviii	3.85 (7)
O2—O2^i	3.14 (11)	O3—O2^iii	4.64 (7)
O2—O2^v	3.14 (11)	O3—La^v	4.40 (4)
O2—O3^i	2.54 (7)	O3—La^xiii	4.30 (6)
O2—La^xxvi	2.98 (6)	O3—Ga2^lvii	4.46 (4)
O2—O3^xviii	2.54 (7)	O3—O2^xxvii	4.45 (8)
O2—O2^xvii	2.08 (12)	O3—O2^xxii	4.41 (6)
O2—O3^xvi	2.55 (8)	O3—O1^lvii	4.59 (7)
O2—O1^xiii	3.16 (13)	O3—Ga2^iv	4.68 (6)
O2—O21	3.81 (9)	O3—O21^lvii	4.74 (9)
O2—O3^xxvi	3.40 (9)	O3—La^xi	4.75 (4)
O2—O21^xiv	2.93 (8)	O3—O1^xiii	4.85 (11)
O2—Nb^xxi	3.37 (6)	O3—Ga3^xxiii	4.91 (5)
O2—Ga1^xxi	3.37 (6)	O3—O2^vi	5.02 (7)
O2—O1^iv	3.49 (7)	O3—O2^lviii	4.63 (6)
O2—Ga2^xix	3.31 (6)	O3—O21^lix	4.51 (10)
O2—O3	3.81 (6)	O3—O21^vii	4.31 (9)
O2—La^xiii	3.63 (6)	O3—O21^xi	5.42 (7)
O2—O2^iii	4.03 (12)	O3—O3^xiii	4.9850
O2—Ga3^xl	3.73 (6)	O3—O3^xxv	4.9850
O2—La^xvi	3.92 (6)	O3—O21^xix	5.08 (7)
O2—Ga3^v	4.21 (6)	O3—O2^i	5.35 (7)
O2—O21^ii	4.78 (9)	O3—O2^ii	5.50 (7)
O2—La^v	4.47 (6)	O3—O2^lx	5.15 (8)
O2—Ga3^xvi	4.36 (6)	O3—Ga2^xxv	5.13 (5)
O2—O3^xvii	4.07 (7)	O3—O1^xi	5.14 (5)
O2—O2^xli	4.08 (11)	O3—O2^xxiv	4.95 (8)
O2—O2^xvi	4.23 (5)	O3—La^xix	5.11 (5)
O2—O2^xix	4.23 (5)	O3—O2^lvii	5.46 (7)
O2—O3^vi	3.85 (7)	O3—O2^viii	5.43 (8)
O2—O21^xv	4.22 (10)	O3—O21^lxi	4.78 (8)
O2—Ga3^xxv	4.50 (6)	O3—O21^ix	5.47 (7)
O2—O3^iii	4.64 (7)	O3—O3^xii	5.15 (8)
O2—Ga2^xxv	4.73 (6)	O3—O3^xviii	5.15 (8)
O2—La^xviii	4.28 (6)	O3—O2^lxii	4.95 (9)
O2—O1^xxvi	4.71 (8)	O3—O21^xxv	4.98 (10)
O2—O3^ii	4.45 (8)	O3—O1^lxiii	5.38 (10)
O2—Ga2^xvi	4.58 (6)	O3—O21^lvi	5.32 (8)
O2—Nb^xx	4.22 (6)	O3—La^xviii	5.30 (5)
O2—Ga1^xx	4.22 (6)	O3—Ga2^xv	5.28 (5)
O2—O3^xxi	4.41 (6)	O3—O21^v	5.72 (9)

Symmetry codes: (i) −y+1, x−y, z; (ii) −x+1, −x+y, −z; (iii) x−y, −y, −z; (iv) y, x−1, −z; (v) −x+y+1, −x+1, z; (vi) −x+1, −x+y, −z+1; (vii) −y+1, x−y, z−1; (viii) −x+y, −x, z; (ix) −y, x−y, z; (x) −x, −x+y, −z; (xi) y, x, −z; (xii) −y, x−y−1, z; (xiii) x, y, z+1; (xiv) x−y+1, −y+1, −z+1; (xv) y, x, −z+1; (xvi) y+1, x, −z+1; (xvii) x−y, −y, −z+1; (xviii) −x+y+1, −x, z; (xix) y, x−1, −z+1; (xx) x+1, y, z+1; (xxi) x+1, y, z; (xxii) x−1, y, z; (xxiii) x−1, y, z−1; (xxiv) −x+y+1, −x+1, z−1; (xxv) x, y, z−1; (xxvi) y+1, x, −z; (xxvii) −x+1, −x+y+1, −z; (xxviii) x−y+1, −y+1, −z; (xxix) −x+2, −x+y+1, −z; (xxx) x−y, −y+1, −z; (xxxi) x+1, y+1, z; (xxxii) y+1, x, −z−1; (xxxiii) −x+y+2, −x+1, z−1; (xxxiv) x, y+1, z−1; (xxxv) −x+y+1, −x, z−1; (xxxvi) −y, x−y, z−1; (xxxvii) x+1, y+1, z−1; (xxxviii) −x+1, −x+y+1, −z+1; (xxxix) x−y+1, −y, −z; (xl) −x+y+2, −x+1, z; (xli) −x+2, −x+y+1, −z+1; (xlii) y+1, x−1, −z+1; (xliii) x−y+1, −y, −z+1; (xliv) −x+y+1, −x+1, z+1; (xlv) x, y−1, z; (xlvi) −y+1, x−y, z+1; (xlvii) −x+y+1, −x, z+1; (xlviii) −y+1, x−y−1, z; (xlix) x−y, −y+1, −z+1; (l) x, y+1, z; (li) −x+y, −x+1, z; (lii) −y+1, x−y+1, z; (liii) −y, x−y, z+1; (liv) x+1, y+1, z+1; (lv) y+1, x+1, −z+1; (lvi) −x, −x+y, −z+1; (lvii) x−1, y−1, z; (lviii) x−y−1, −y, −z+1; (lix) −x+y, −x, z−1; (lx) x−y−1, −y, −z; (lxi) y−1, x−1, −z+1; (lxii) −y, x−y−1, z−1; (lxiii) x−1, y−1, z+1.

(21.85d3)

Crystal data

Ga5.50La3Nb0.50O14	V = 255.4 Å^3
Mr = 1070.65	Z = 1
?, ?	F(000) = 474
a = 7.692 Å	Dx = 6.960 Mg m^−3
b = 7.692 Å	? radiation, λ = 0.54920 Å
c = 4.985 Å	µ = 15.80 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.000
Graphite monochromator	θmax = 29.8°, θmin = 2.4°
283 measured reflections	h = −10→10
283 independent reflections	k = −7→8
275 reflections with I > 2σ(I)	l = −7→7

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.145	(Δ/σ)max < 0.001
wR(F^2) = 0.356	Δρmax = 4.00 e Å^−3
S = 2.35	Δρmin = −2.43 e Å^−3
283 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
28 parameters	Extinction coefficient: 0.05 (4)
0 restraints	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.0 (6)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La	0.4372 (8)	0.0000	0.0000	0.050 (2)
Ga1	0.0000	0.0000	0.0000	0.057 (5)	0.50
Ga2	0.6667	0.3333	0.495 (3)	0.058 (4)
Ga3	0.7681 (13)	0.0000	0.5000	0.045 (3)
Nb	0.0000	0.0000	0.0000	0.057 (5)	0.50
O1	0.6667	0.3333	−0.15 (3)	0.08 (3)*
O2	0.713 (9)	0.145 (7)	0.379 (13)	0.08 (2)*
O3	0.167 (7)	−0.072 (7)	0.240 (14)	0.068 (15)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La	0.063 (3)	0.031 (3)	0.046 (4)	0.0154 (13)	0.0064 (12)	0.013 (2)
Ga1	0.063 (7)	0.063 (7)	0.044 (12)	0.031 (3)	0.000	0.000
Ga2	0.071 (6)	0.071 (6)	0.031 (8)	0.036 (3)	0.000	0.000
Ga3	0.040 (4)	0.058 (6)	0.042 (6)	0.029 (3)	−0.007 (2)	−0.014 (5)
Nb	0.063 (7)	0.063 (7)	0.044 (12)	0.031 (3)	0.000	0.000

Bond lengths (Å)

La—O3^i	2.22 (6)	O2—O1^x	2.87 (12)
La—O3	2.22 (6)	O2—O3^xxiv	3.47 (9)
La—O1	2.39 (4)	O2—Nb^xviii	3.48 (6)
La—O1^ii	2.39 (4)	O2—Ga1^xviii	3.48 (6)
La—O2	2.64 (6)	O2—O1^ii	3.55 (7)
La—O2^i	2.64 (6)	O2—Ga2^xvii	3.42 (5)
La—O2^ii	2.92 (6)	O2—O3	3.73 (7)
La—O2^iii	2.92 (6)	O2—La^x	3.60 (7)
La—Ga2	3.355 (12)	O2—O2^i	4.24 (13)
La—Ga2^ii	3.355 (12)	O2—Ga3^xliii	3.75 (6)
La—Ga1	3.363 (7)	O2—O3^xiv	3.90 (6)
La—Nb	3.363 (7)	O2—La^xii	3.81 (6)
Ga1—O3^iv	2.02 (5)	O2—Ga3^iii	4.12 (6)
Ga1—O3	2.02 (5)	O2—O3^xvi	3.98 (7)
Ga1—O3^v	2.02 (5)	O2—Ga3^xii	4.20 (5)
Ga1—O3^i	2.02 (5)	O2—O2^xliv	4.00 (12)
Ga1—O3^vi	2.02 (5)	O2—La^iii	4.35 (5)
Ga1—O3^vii	2.02 (5)	O2—O2^xvii	4.13 (5)
Ga1—La^iv	3.363 (7)	O2—O2^xii	4.13 (5)
Ga1—La^vii	3.363 (7)	O2—Ga3^xxiii	4.59 (7)
Ga1—O2^viii	3.48 (6)	O2—La^xv	4.45 (5)
Ga1—O2^ix	3.48 (6)	O2—O3^i	4.60 (7)
Ga1—O2^iii	3.48 (6)	O2—Ga2^xxiii	4.71 (7)
Ga2—O1^x	1.77 (13)	O2—Nb^xix	4.26 (6)
Ga2—O2	1.76 (5)	O2—Ga1^xix	4.26 (6)
Ga2—O2^xi	1.76 (5)	O2—O1^xxiv	4.58 (7)
Ga2—O2^iii	1.76 (5)	O2—O3^xxxiii	4.67 (8)
Ga2—Ga3	3.030 (7)	O2—Ga2^xii	4.48 (6)
Ga2—Ga3^xii	3.030 (7)	O2—Ga3^xlv	4.47 (5)
Ga2—Ga3^iii	3.030 (7)	O2—O3^xviii	4.61 (5)
Ga2—O3^xiii	3.16 (5)	O2—Ga3^xvii	4.79 (6)
Ga2—O3^xii	3.16 (5)	O2—O3^xiii	4.75 (6)
Ga2—O3^xiv	3.16 (5)	O2—O3^xlvi	4.74 (6)
Ga2—O1	3.22 (13)	O2—O2^x	4.9850
Ga2—La^iii	3.355 (12)	O2—O2^xxiii	4.9850
Ga3—O2^xiv	1.50 (5)	O2—O2^xxviii	5.37 (13)
Ga3—O2	1.50 (5)	O2—O3^iii	5.17 (6)
Ga3—O3^xv	1.80 (6)	O2—O2^xiii	4.93 (8)
Ga3—O3^xii	1.80 (6)	O2—O2^xvi	4.93 (8)
Ga3—O3^xi	2.49 (6)	O2—O2^ii	5.47 (9)
Ga3—O3^xvi	2.49 (6)	O2—O2^xxiv	5.47 (9)
Ga3—Ga2^xvii	3.030 (7)	O2—La^xlvii	5.00 (6)
Ga3—Nb^xviii	3.065 (6)	O2—O2^xliii	5.07 (10)
Ga3—Nb^xix	3.065 (6)	O2—O2^xlviii	5.07 (10)
Ga3—O1^ii	3.50 (6)	O2—O3^viii	5.34 (7)
Ga3—O1^x	3.50 (6)	O2—O3^xlix	4.96 (10)
Nb—O3^iv	2.02 (5)	O2—O3^xli	5.33 (7)
Nb—O3	2.02 (5)	O2—O3^xxvi	5.28 (7)
Nb—O3^v	2.02 (5)	O2—O3^l	5.02 (10)
Nb—O3^i	2.02 (5)	O2—La^l	5.08 (6)
Nb—O3^vi	2.02 (5)	O2—Ga2^ii	5.51 (6)
Nb—O3^vii	2.02 (5)	O2—O1^xvii	5.11 (13)
Nb—Ga3^xx	3.065 (6)	O2—O3^v	5.38 (9)
Nb—Ga3^xxi	3.065 (6)	O2—Ga3^xxxi	5.74 (7)
Nb—Ga3^ii	3.065 (6)	O2—La^ii	5.78 (6)
Nb—Ga3^iii	3.065 (6)	O2—O2^xxi	5.75 (4)
Nb—Ga3^xxii	3.065 (6)	O2—O2^xlvii	5.75 (4)
Nb—Ga3^xvii	3.065 (6)	O2—O2^xlix	5.75 (4)
O1—Ga2^xxiii	1.77 (13)	O2—O2^xxv	5.75 (4)
O1—La^iii	2.39 (4)	O2—O2^viii	6.10 (10)
O1—La^xxiv	2.39 (4)	O2—O2^xxxiii	6.10 (10)
O1—O2	3.12 (11)	O2—O3^x	5.65 (9)
O1—O2^xi	3.12 (11)	O2—O2^li	5.83 (9)
O1—O2^iii	3.12 (11)	O2—O2^xv	5.83 (9)
O1—O3^viii	2.91 (6)	O2—La^xliii	5.97 (6)
O1—O3^i	2.91 (6)	O2—O3^xxv	6.19 (10)
O1—O3^xxiv	2.91 (6)	O2—O1^xii	5.87 (11)
O1—O2^xxv	2.87 (12)	O3—Ga3^xvii	1.80 (6)
O1—O2^xxi	2.87 (12)	O3—Ga3^iii	2.49 (6)
O1—O2^xxiii	2.87 (12)	O3—O2^iii	2.57 (8)
O1—Ga3^xxiv	3.50 (6)	O3—O3^i	2.58 (12)
O1—Ga3^xxi	3.50 (6)	O3—O2^xvii	2.47 (8)
O1—Ga3^xxiii	3.50 (6)	O3—O2^li	2.69 (5)
O1—O2^xxiv	3.55 (7)	O3—O3^xiv	2.76 (14)
O1—O2^viii	3.55 (7)	O3—O3^vii	2.82 (9)
O1—O2^i	3.55 (7)	O3—O3^v	2.82 (9)
O1—O3^iii	4.04 (9)	O3—O1^ii	2.91 (6)
O1—O3^xi	4.04 (9)	O3—Ga2^xvii	3.16 (4)
O1—O3	4.04 (9)	O3—O2^ii	3.47 (9)
O1—Ga3^xii	4.44 (10)	O3—O3^vi	3.27 (11)
O1—Ga3^iii	4.44 (10)	O3—O3^lii	3.41 (13)
O1—Ga1^xxvi	4.50 (2)	O3—La^ii	3.54 (5)
O1—Nb^xxvi	4.50 (2)	O3—Ga3^xxii	3.62 (6)
O1—Ga1^xviii	4.50 (2)	O3—Ga3^ii	3.90 (7)
O1—Nb^xviii	4.50 (2)	O3—O3^iv	3.98 (10)
O1—O2^xxvii	4.58 (7)	O3—O2^xiv	3.90 (6)
O1—O2^xxviii	4.58 (7)	O3—O3^xxxvii	4.10 (13)
O1—O2^ii	4.58 (7)	O3—Nb^x	4.12 (7)
O1—O3^xxiii	4.66 (10)	O3—Ga1^x	4.12 (7)
O1—O3^xxi	4.66 (10)	O3—O2^xiii	3.98 (7)
O1—O3^xxv	4.66 (10)	O3—La^x	4.22 (6)
O1—O1^iv	4.69 (8)	O3—Ga3^xxi	4.26 (6)
O1—O1^xxiv	4.69 (8)	O3—La^vii	4.22 (5)
O1—O1^ii	4.69 (8)	O3—O2^i	4.60 (7)
O1—O3^xxvi	4.68 (7)	O3—La^iii	4.44 (5)
O1—O3^v	4.68 (7)	O3—Ga2^liii	4.44 (5)
O1—O3^xv	4.68 (7)	O3—O2^viii	4.67 (8)
O1—Ga2^iv	4.76 (5)	O3—O2^xxii	4.61 (5)
O1—Ga2^xxiv	4.76 (5)	O3—O1^x	4.66 (10)
O1—Ga2^ii	4.76 (5)	O3—Ga2^ii	4.66 (7)
O1—La^xxiii	4.81 (11)	O3—O1^liii	4.68 (7)
O1—La^xxi	4.81 (11)	O3—O2^xvi	4.75 (6)
O1—La^xxix	4.81 (11)	O3—La^iv	4.84 (5)
O1—O1^x	4.9850	O3—O2^liv	4.74 (6)
O1—O1^xxiii	4.9850	O3—O3^li	4.98 (9)
O1—Ga3^xxx	5.09 (5)	O3—O3^xv	4.98 (9)
O1—Ga3^ii	5.09 (5)	O3—O3^x	4.9850
O1—Ga3^xxxi	5.09 (5)	O3—O3^xxiii	4.9850
O1—O3^xxxii	5.18 (5)	O3—Ga3^xx	5.00 (5)
O1—O3^iv	5.18 (5)	O3—La^xvii	5.04 (5)
O1—O3^xxxiii	5.18 (5)	O3—O2^xi	5.17 (6)
O1—O3^xxxiv	5.23 (10)	O3—Ga2^xxiii	5.13 (6)
O1—O3^xxxv	5.23 (10)	O3—O1^iv	5.18 (5)
O1—O3^xxxvi	5.23 (10)	O3—O2^xxxiii	5.34 (7)
O1—O2^xii	5.11 (13)	O3—O2^xxi	4.96 (10)
O1—O2^xiii	5.11 (13)	O3—La^xv	5.21 (6)
O1—O2^xiv	5.11 (13)	O3—O2^ix	5.33 (7)
O1—O3^xiii	5.37 (12)	O3—O1^lv	5.23 (10)
O1—O3^xii	5.37 (12)	O3—O2^liii	5.28 (7)
O1—O3^xiv	5.37 (12)	O3—O2^lvi	5.02 (10)
O1—Ga2^xxxvii	5.51 (7)	O3—Ga2^xxxvii	5.33 (5)
O1—Ga2^xii	5.51 (7)	O3—O2^vii	5.38 (9)
O1—Ga2^xvii	5.51 (7)	O3—O1^xvii	5.37 (12)
O1—O1^xxxviii	5.64 (16)	O3—La^lvii	5.55 (6)
O1—O1^xxxix	5.64 (16)	O3—Ga3^xxiii	5.72 (6)
O1—O1^xxix	5.64 (16)	O3—Ga2^lviii	5.65 (6)
O1—La^xxvi	5.621 (17)	O3—La^xlvii	5.71 (6)
O1—La^iv	5.621 (17)	O3—La^xxiv	5.72 (5)
O1—La^xv	5.621 (17)	O3—O3^ii	5.72 (10)
O1—O3^xl	5.69 (5)	O3—O3^xxiv	5.72 (10)
O1—O3^vi	5.69 (5)	O3—O1^lix	5.69 (5)
O1—O3^xli	5.69 (5)	O3—O3^lvii	5.73 (4)
O1—O2^xlii	5.87 (11)	O3—O3^lx	5.73 (4)
O2—O3^xi	2.57 (8)	O3—O3^lxi	5.73 (4)
O2—O2^xiv	2.28 (11)	O3—O3^xxxv	5.73 (4)
O2—O3^xii	2.47 (8)	O3—O3^xvii	5.80 (7)
O2—O3^xv	2.69 (5)	O3—O3^xii	5.80 (7)
O2—La^xxiv	2.92 (6)	O3—O2^xxiii	5.65 (9)
O2—O2^iii	2.87 (9)	O3—O2^xlvii	6.19 (10)
O2—O2^xi	2.87 (9)	O3—La^xxii	6.03 (5)

Symmetry codes: (i) x−y, −y, −z; (ii) y, x−1, −z; (iii) −x+y+1, −x+1, z; (iv) y, x, −z; (v) −y, x−y, z; (vi) −x, −x+y, −z; (vii) −x+y, −x, z; (viii) −x+1, −x+y+1, −z; (ix) x−y−1, −y, −z; (x) x, y, z+1; (xi) −y+1, x−y, z; (xii) y+1, x, −z+1; (xiii) −x+1, −x+y+1, −z+1; (xiv) x−y, −y, −z+1; (xv) −x+y+1, −x, z; (xvi) −x+1, −x+y, −z+1; (xvii) y, x−1, −z+1; (xviii) x+1, y, z; (xix) x+1, y, z+1; (xx) x−1, y, z−1; (xxi) −x+y+1, −x+1, z−1; (xxii) x−1, y, z; (xxiii) x, y, z−1; (xxiv) y+1, x, −z; (xxv) −y+1, x−y, z−1; (xxvi) x+1, y+1, z; (xxvii) x−y, −y+1, −z; (xxviii) −x+2, −x+y+1, −z; (xxix) y+1, x, −z−1; (xxx) x, y+1, z−1; (xxxi) −x+y+2, −x+1, z−1; (xxxii) x−y+1, −y+1, −z; (xxxiii) −x+1, −x+y, −z; (xxxiv) x+1, y+1, z−1; (xxxv) −y, x−y, z−1; (xxxvi) −x+y+1, −x, z−1; (xxxvii) y, x, −z+1; (xxxviii) y, x, −z−1; (xxxix) y, x−1, −z−1; (xl) y+1, x+1, −z; (xli) x−y+1, −y, −z; (xlii) x−y, −y+1, −z+1; (xliii) −x+y+2, −x+1, z; (xliv) −x+2, −x+y+1, −z+1; (xlv) y+1, x−1, −z+1; (xlvi) x−y+1, −y, −z+1; (xlvii) −x+y+1, −x+1, z+1; (xlviii) −y+1, x−y−1, z; (xlix) −y+1, x−y, z+1; (l) −x+y+1, −x, z+1; (li) −y, x−y−1, z; (lii) −x, −x+y, −z+1; (liii) x−1, y−1, z; (liv) x−y−1, −y, −z+1; (lv) x−1, y−1, z+1; (lvi) −y, x−y−1, z−1; (lvii) −x+y, −x, z+1; (lviii) x−1, y−1, z−1; (lix) y−1, x−1, −z; (lx) −y, x−y, z+1; (lxi) −x+y, −x, z−1.

(21.85d3a2)

Crystal data

Ga11La6NbO28	V = 511.3 Å^3
Mr = 2141.29	Z = 1
?, ?	F(000) = 948
a = 4.985 Å	Dx = 6.955 Mg m^−3
b = 7.695 Å	? radiation, λ = 0.54920 Å
c = 13.328 Å	µ = 15.79 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 90°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.072
Graphite monochromator	θmax = 30.0°, θmin = 2.4°
485 measured reflections	h = −7→7
341 independent reflections	k = −14→13
325 reflections with I > 2σ(I)	l = −13→14

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.123	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.300	(Δ/σ)max = 0.073
S = 2.14	Δρmax = 2.22 e Å^−3
341 reflections	Δρmin = −1.58 e Å^−3
67 parameters	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
1 restraint	Absolute structure parameter: −0.2 (4)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La1	0.0011 (12)	0.2201 (5)	0.7824 (5)	0.0483 (15)
La2	0.0000	0.5610 (9)	0.0000	0.066 (4)
Ga1	0.0000	−0.0047 (14)	0.0000	0.071 (5)	0.50
Nb	0.0000	−0.0047 (14)	0.0000	0.071 (5)	0.50
Ga2	0.5042 (19)	0.5088 (10)	0.1680 (12)	0.070 (4)
Ga3	0.5000	0.2352 (12)	0.0000	0.073 (6)
Ga4	0.500 (3)	0.3792 (12)	0.6150 (11)	0.042 (3)
O1	0.172 (11)	0.466 (5)	0.184 (6)	0.030*
O2	0.392 (13)	0.335 (5)	0.900 (6)	0.030*
O3	0.372 (11)	0.870 (5)	0.213 (5)	0.030*
O4	0.426 (13)	0.687 (4)	0.871 (6)	0.030*
O5	0.785 (13)	0.136 (5)	0.935 (6)	0.030*
O6	0.768 (11)	0.057 (5)	0.124 (6)	0.030*
O7	0.689 (14)	0.767 (4)	0.910 (6)	0.030*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La1	0.055 (2)	0.0376 (14)	0.053 (4)	0.0085 (18)	0.025 (3)	−0.0111 (18)
La2	0.071 (6)	0.063 (4)	0.063 (9)	0.000	0.025 (6)	0.000
Ga1	0.084 (6)	0.036 (4)	0.095 (14)	0.000	0.063 (7)	0.000
Nb	0.084 (6)	0.036 (4)	0.095 (14)	0.000	0.063 (7)	0.000
Ga2	0.042 (5)	0.030 (2)	0.137 (13)	−0.009 (4)	0.022 (7)	−0.024 (5)
Ga3	0.031 (7)	0.016 (3)	0.171 (19)	0.000	0.028 (9)	0.000
Ga4	0.036 (5)	0.045 (3)	0.044 (10)	−0.017 (3)	0.007 (5)	−0.005 (4)

Bond lengths (Å)

La1—O5^i	2.40 (7)	O3—O2^xxv	2.51 (10)
La1—O6^ii	2.11 (7)	O3—O4^xxv	3.24 (8)
La1—O1^iii	2.51 (5)	O3—O1^xxxii	2.76 (10)
La1—O1^iv	2.12 (4)	O3—La1^xxxiv	3.28 (5)
La1—O4^v	2.96 (8)	O3—O1^xxxv	3.13 (7)
La1—O3^iii	2.37 (5)	O3—O6^xxxvi	3.54 (9)
La1—O3^vi	3.28 (5)	O3—Ga1^xiii	3.52 (7)
La1—O2	2.65 (7)	O3—Nb^xiii	3.52 (7)
La1—Ga2^vii	3.332 (14)	O3—La1^xxiv	3.47 (6)
La1—Ga2^ii	3.384 (12)	O3—O6^xxxii	3.32 (7)
La1—Nb^viii	3.377 (9)	O3—Ga3^xiii	4.04 (5)
La1—Ga1^viii	3.377 (9)	O3—La1^xxxiii	4.13 (5)
La2—O7^ii	2.52 (7)	O3—O5^xxv	4.04 (11)
La2—O7^ix	2.52 (7)	O3—O7^xi	4.41 (9)
La2—O1^x	2.70 (8)	O3—O2^xxxiii	4.05 (7)
La2—O1	2.70 (8)	O3—Ga3^xxviii	4.02 (7)
La2—O2^iv	2.94 (5)	O3—O3^xxii	4.17 (5)
La2—O2^xi	2.94 (5)	O3—O3^xxxii	4.17 (5)
La2—O4^iv	2.90 (6)	O3—Ga4^xxxiii	4.59 (5)
La2—O4^xi	2.90 (6)	O3—O4^iv	4.36 (9)
La2—Ga2^i	3.359 (12)	O3—Ga1^xxxvii	4.33 (5)
La2—Ga2^xii	3.359 (12)	O3—Nb^xxxvii	4.33 (5)
La2—Nb^xiii	3.342 (13)	O3—La2^xxviii	4.50 (6)
La2—Ga1^xiii	3.342 (13)	O3—Ga4^xxxii	4.41 (7)
Ga1—O6^i	2.07 (6)	O3—Ga2^xiii	5.00 (4)
Ga1—O6^xii	2.07 (6)	O3—O1^xiii	4.71 (6)
Ga1—O7^xiv	2.63 (7)	O3—O5^xxxviii	4.54 (8)
Ga1—O7^xv	2.63 (7)	O3—Ga4^xxxviii	4.54 (6)
Ga1—O5^ii	1.75 (7)	O3—O6^xxxix	4.77 (10)
Ga1—O5^ix	1.75 (7)	O3—O7^ix	5.34 (11)
Ga1—La1^iv	3.377 (9)	O3—Ga2^xxxv	4.77 (5)
Ga1—La1^xi	3.377 (9)	O3—O7^xxv	4.33 (9)
Ga1—La2^xvi	3.342 (13)	O3—O5^xl	4.70 (9)
Ga1—O3^xvii	3.52 (7)	O3—Ga4^ii	4.46 (5)
Ga1—O3^xvi	3.52 (7)	O3—O2^xli	5.30 (10)
Ga1—O3^xviii	4.33 (5)	O3—O2^ii	4.53 (6)
Nb—O6^i	2.07 (6)	O3—O5^xlii	5.07 (8)
Nb—O6^xii	2.07 (6)	O3—O3^xxiii	4.9850 (5)
Nb—O7^xiv	2.63 (7)	O3—O3^i	4.9850 (4)
Nb—O7^xv	2.63 (7)	O3—La2^xxix	5.16 (7)
Nb—O5^ii	1.75 (7)	O3—O7^xliii	5.02 (8)
Nb—O5^ix	1.75 (7)	O3—O4^xi	4.78 (10)
Nb—Ga3	3.102 (9)	O3—O2^xl	5.50 (9)
Nb—Ga4^xix	3.058 (15)	O3—La2^xxiii	4.84 (5)
Nb—Ga4^xx	3.058 (15)	O3—O1^xxiii	5.07 (7)
Nb—Ga4^xxi	3.060 (11)	O3—Nb^xxviii	5.14 (5)
Nb—Ga4^xxii	3.060 (11)	O3—Ga1^xxviii	5.14 (5)
Nb—Ga3^i	3.102 (9)	O3—O3^xix	5.44 (7)
Ga2—O3^xxii	2.01 (7)	O3—O3^xxxv	5.44 (7)
Ga2—O2^ii	1.69 (5)	O3—Ga2^i	5.18 (6)
Ga2—O4^ii	1.51 (4)	O3—Ga3^xxxvi	5.90 (6)
Ga2—O1	1.70 (6)	O3—Ga4^xxiv	5.77 (5)
Ga2—La2^xxiii	3.359 (12)	O3—La1^iv	5.33 (4)
Ga2—La1^xxiv	3.332 (14)	O3—O3^xii	5.81 (13)
Ga2—La1^ii	3.384 (11)	O3—Nb^xxix	5.72 (7)
Ga2—La1^xxv	3.355 (11)	O3—La2^xiii	6.31 (5)
Ga2—La1^iv	3.423 (10)	O3—La1^ii	5.90 (5)
Ga2—O3	2.92 (4)	O3—O3^x	6.77 (15)
Ga2—O3^xvi	5.00 (4)	O3—O3^xliv	7.42 (10)
Ga3—O2^ii	1.63 (7)	O3—O3^xlv	7.42 (10)
Ga3—O2^xi	1.63 (7)	O3—O3^ii	7.77 (14)
Ga3—O5^ii	1.83 (6)	O3—O3^xx	7.6949
Ga3—O5^xi	1.83 (6)	O3—O3^xxv	7.6949
Ga3—Nb^xxiii	3.102 (9)	O3—O3^iii	7.6950
Ga3—La2^xxiii	3.535 (8)	O3—O3^xxviii	7.6950
Ga3—O3^xxvi	4.04 (5)	O3—O3^xvi	7.6950 (1)
Ga3—O3^xvi	4.04 (5)	O3—O3^xlvi	8.44 (10)
Ga3—O3^xxii	4.02 (7)	O3—O3^iv	8.51 (12)
Ga3—O3^xx	4.02 (7)	O4—Ga4^xli	1.54 (4)
Ga4—O4^xxvii	1.54 (4)	O4—Ga2^ii	1.51 (4)
Ga4—O3^iii	1.45 (6)	O4—O3^ii	2.05 (7)
Ga4—O7^xxvii	1.32 (7)	O4—La1^xlvii	2.96 (8)
Ga4—O6^xxviii	1.92 (5)	O4—O3^iii	3.24 (8)
Ga4—Nb^xxviii	3.058 (15)	O4—La2^viii	2.90 (6)
Ga4—Nb^xxix	3.060 (11)	O4—O3^iv	4.36 (9)
Ga4—La1^xxiii	3.567 (16)	O4—O3^viii	4.78 (10)
Ga4—O3^xv	4.59 (5)	O5—Ga3^viii	1.83 (6)
Ga4—O3^xxii	4.41 (7)	O5—Nb^xlviii	1.75 (7)
Ga4—O3^xxx	4.54 (6)	O5—Ga1^xlviii	1.75 (7)
Ga4—O3^ii	4.46 (5)	O5—La1^xxiii	2.40 (7)
O1—La1^xxv	2.51 (5)	O5—O3^xv	2.95 (9)
O1—La1^iv	2.12 (4)	O5—O3^iii	4.04 (11)
O1—O3^xxii	2.76 (10)	O5—O3^xxx	4.54 (8)
O1—O3^xix	3.13 (7)	O5—O3^xxxi	4.70 (9)
O1—O3	3.29 (6)	O5—O3^xlix	5.07 (8)
O1—O3^xvi	4.71 (6)	O6—Ga4^xx	1.92 (5)
O1—O3^i	5.07 (7)	O6—Nb^xxiii	2.07 (6)
O2—Ga3^viii	1.63 (7)	O6—Ga1^xxiii	2.07 (6)
O2—Ga2^ii	1.69 (5)	O6—La1^ii	2.11 (7)
O2—La2^viii	2.94 (5)	O6—O3^xvi	2.71 (7)
O2—O3^iii	2.51 (10)	O6—O3^l	3.54 (9)
O2—O3^xv	4.05 (7)	O6—O3^xxii	3.32 (7)
O2—O3^xxvii	5.30 (10)	O6—O3^xxvi	4.77 (10)
O2—O3^ii	4.53 (6)	O7—Ga4^xli	1.32 (6)
O2—O3^xxxi	5.50 (9)	O7—Nb^li	2.63 (7)
O3—Ga4^xxv	1.45 (6)	O7—Ga1^li	2.63 (7)
O3—Ga2^xxxii	2.01 (7)	O7—La2^xlviii	2.52 (7)
O3—O4^ii	2.05 (7)	O7—O3^ii	1.84 (9)
O3—O6^xiii	2.71 (7)	O7—O3^viii	4.41 (9)
O3—O5^xxxiii	2.95 (9)	O7—O3^xlviii	5.34 (11)
O3—La1^xxv	2.37 (5)	O7—O3^iii	4.33 (9)
O3—O7^ii	1.84 (9)	O7—O3^xliii	5.02 (8)

Symmetry codes: (i) x−1, y, z; (ii) −x+1, y, −z+1; (iii) x, y−1/2, z+1/2; (iv) −x, y, −z+1; (v) −x, y−1/2, −z+3/2; (vi) −x, y−1, −z+1; (vii) x−1, y−1/2, z+1/2; (viii) x, y, z+1; (ix) x−1, y, z−1; (x) −x, y, −z; (xi) x, y, z−1; (xii) −x+1, y, −z; (xiii) x, y+1, z; (xiv) x−1, y−1, z−1; (xv) −x+1, y−1, −z+1; (xvi) x, y−1, z; (xvii) −x, y−1, −z; (xviii) x−1, y−1, z; (xix) −x, y−1/2, −z+1/2; (xx) x, y−1/2, z−1/2; (xxi) x−1, y−1/2, z−1/2; (xxii) −x+1, y−1/2, −z+1/2; (xxiii) x+1, y, z; (xxiv) x+1, y+1/2, z−1/2; (xxv) x, y+1/2, z−1/2; (xxvi) −x+1, y−1, −z; (xxvii) −x+1, y−1/2, −z+3/2; (xxviii) x, y+1/2, z+1/2; (xxix) x+1, y+1/2, z+1/2; (xxx) x+1, y−1/2, z+1/2; (xxxi) x, y−1, z+1; (xxxii) −x+1, y+1/2, −z+1/2; (xxxiii) −x+1, y+1, −z+1; (xxxiv) −x, y+1, −z+1; (xxxv) −x, y+1/2, −z+1/2; (xxxvi) x−1, y+1, z; (xxxvii) x+1, y+1, z; (xxxviii) x−1, y+1/2, z−1/2; (xxxix) −x+1, y+1, −z; (xl) x, y+1, z−1; (xli) −x+1, y+1/2, −z+3/2; (xlii) −x+2, y+1, −z+1; (xliii) −x+2, y, −z+1; (xliv) −x+2, y−1/2, −z+1/2; (xlv) −x+2, y+1/2, −z+1/2; (xlvi) −x+2, y, −z; (xlvii) −x, y+1/2, −z+3/2; (xlviii) x+1, y, z+1; (xlix) −x+2, y−1, −z+1; (l) x+1, y−1, z; (li) x+1, y+1, z+1.

(22.85d3)

Crystal data

Ga11La6NbO28	V = 507.7 Å^3
Mr = 2141.29	Z = 1
?, ?	F(000) = 948
a = 4.970 Å	Dx = 7.003 Mg m^−3
b = 7.680 Å	? radiation, λ = 0.54920 Å
c = 13.302 Å	µ = 15.90 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 90°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.071
Graphite monochromator	θmax = 29.9°, θmin = 3.2°
433 measured reflections	h = −5→7
295 independent reflections	k = −13→13
273 reflections with I > 2σ(I)	l = −13→14

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.118	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.300	(Δ/σ)max = 0.269
S = 2.43	Δρmax = 2.15 e Å^−3
295 reflections	Δρmin = −2.13 e Å^−3
67 parameters	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
1 restraint	Absolute structure parameter: −0.4 (5)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La1	−0.0030 (9)	0.2196 (6)	0.7795 (3)	0.0528 (10)
La2	0.0000	0.5606 (6)	0.0000	0.060 (2)
Ga1	0.0000	0.0133 (14)	0.0000	0.050 (2)	0.50
Nb	0.0000	0.0133 (14)	0.0000	0.050 (2)	0.50
Ga2	0.4977 (7)	0.5049 (16)	0.1690 (12)	0.054 (2)
Ga3	0.5000	0.2276 (16)	0.0000	0.057 (4)
Ga4	0.4998 (19)	0.3829 (13)	0.6182 (5)	0.0508 (16)
O1	0.136 (5)	0.461 (4)	0.175 (5)	0.030*
O2	0.351 (6)	0.319 (5)	0.926 (3)	0.030*
O3	0.371 (7)	0.868 (5)	0.254 (3)	0.030*
O4	0.326 (7)	0.666 (5)	0.834 (3)	0.030*
O5	0.795 (7)	0.128 (5)	0.909 (3)	0.030*
O6	0.773 (8)	0.061 (4)	0.123 (3)	0.030*
O7	0.714 (6)	0.791 (5)	0.907 (3)	0.030*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La1	0.0427 (15)	0.0449 (16)	0.071 (2)	−0.0010 (15)	0.029 (2)	−0.0188 (16)
La2	0.073 (4)	0.050 (4)	0.058 (4)	0.000	0.024 (4)	0.000
Ga1	0.034 (3)	0.023 (3)	0.095 (6)	0.000	0.028 (5)	0.000
Nb	0.034 (3)	0.023 (3)	0.095 (6)	0.000	0.028 (5)	0.000
Ga2	0.016 (2)	0.052 (3)	0.093 (5)	−0.001 (6)	−0.009 (6)	0.021 (7)
Ga3	0.059 (6)	0.054 (5)	0.060 (7)	0.000	0.004 (6)	0.000
Ga4	0.050 (3)	0.055 (3)	0.047 (3)	−0.016 (3)	0.039 (3)	0.014 (3)

Bond lengths (Å)

La1—O6^i	2.11 (4)	O3—O6^xiv	3.04 (5)
La1—O1^ii	2.06 (3)	O3—O5^xxx	3.06 (5)
La1—O3^iii	2.20 (4)	O3—O1^xxxi	2.78 (5)
La1—O5^iv	2.11 (4)	O3—O4^xxiii	2.53 (5)
La1—O1^iii	2.52 (5)	O3—La1^xxxii	3.29 (4)
La1—O2	2.74 (3)	O3—O6^xxix	2.95 (5)
La1—O4^v	2.25 (4)	O3—La1^xxiv	3.33 (3)
La1—O7^vi	2.92 (4)	O3—O6^xxxiii	3.75 (5)
La1—O3^vii	3.29 (4)	O3—Ga1^xiv	4.01 (4)
La1—Ga2^viii	3.322 (11)	O3—Nb^xiv	4.01 (4)
La1—Ga2^iii	3.328 (11)	O3—Ga3^xxvi	3.50 (4)
La1—Nb^ix	3.333 (7)	O3—O5^xxiii	3.48 (5)
La2—O7^i	2.58 (4)	O3—Ga3^xiv	4.42 (4)
La2—O7^x	2.58 (4)	O3—O2^xxx	4.44 (5)
La2—O1	2.54 (6)	O3—La1^xxx	4.17 (4)
La2—O1^xi	2.54 (6)	O3—O3^xxii	4.05 (2)
La2—O4^xii	2.85 (4)	O3—O3^xxix	4.05 (2)
La2—O4^ii	2.85 (4)	O3—O7^xxiii	4.19 (5)
La2—O2^ii	2.73 (3)	O3—Nb^xxxiv	4.74 (4)
La2—O2^xii	2.73 (3)	O3—Ga1^xxxiv	4.74 (4)
La2—Ga2^xiii	3.387 (11)	O3—O4^ii	3.97 (5)
La2—Ga2^iv	3.387 (11)	O3—Ga4^i	4.14 (4)
La2—Ga1^xiv	3.477 (12)	O3—O7^xii	4.96 (5)
La2—Nb^xiv	3.477 (12)	O3—Ga4^xxix	5.00 (4)
Ga1—O5^i	1.81 (4)	O3—La2^xxvi	4.03 (4)
Ga1—O5^x	1.81 (4)	O3—O5^xxxv	3.97 (5)
Ga1—O6^iv	2.03 (4)	O3—O2^i	5.04 (5)
Ga1—O6^xiii	2.03 (4)	O3—Ga4^xxx	4.35 (4)
Ga1—La1^ii	3.333 (7)	O3—Ga4^xxxv	4.69 (4)
Ga1—La1^xii	3.333 (7)	O3—O1^xiv	4.82 (5)
Ga1—La2^xv	3.477 (12)	O3—O5^xxxvi	5.44 (5)
Ga1—O3^xvi	4.01 (4)	O3—Ga2^xxxi	4.56 (3)
Ga1—O3^xv	4.01 (4)	O3—O6^xxxvii	5.29 (6)
Ga1—O3^xvii	4.74 (4)	O3—O4^xii	5.80 (5)
Ga1—O3^xviii	4.74 (4)	O3—La2^xxv	5.18 (4)
Ga1—O3^xix	4.64 (4)	O3—O3^iv	4.9700 (3)
Nb—O5^i	1.81 (4)	O3—O3^xxv	4.9700 (3)
Nb—O5^x	1.81 (4)	O3—Ga2^xiv	5.06 (4)
Nb—O6^iv	2.03 (4)	O3—O7^xxxviii	5.07 (5)
Nb—O6^xiii	2.03 (4)	O3—O5^xxxix	4.91 (5)
Nb—Ga4^xix	3.106 (10)	O3—O5^xl	5.09 (5)
Nb—Ga4^xx	3.106 (10)	O3—O1^xxv	5.04 (5)
Nb—Ga4^xxi	3.107 (9)	O3—Ga1^xxvi	4.64 (4)
Nb—Ga4^xxii	3.107 (9)	O3—Nb^xxvi	4.64 (4)
Nb—Ga3	2.980 (9)	O3—La2^xxvii	4.76 (4)
Nb—Ga3^iv	2.980 (9)	O3—Ga2^iv	5.28 (4)
Nb—La1^ii	3.333 (7)	O3—La1^ii	5.32 (4)
Nb—La1^xii	3.333 (7)	O3—O3^xix	5.32 (5)
Ga2—O4^i	1.51 (4)	O3—O3^xxxi	5.32 (5)
Ga2—O1	1.83 (2)	O3—Nb^xxvii	5.28 (4)
Ga2—O2^i	2.05 (4)	O3—Ga1^xxvii	5.28 (4)
Ga2—O3^xxii	1.60 (4)	O3—Ga4^xxiv	5.90 (3)
Ga2—O3	3.08 (4)	O3—La1^i	5.91 (4)
Ga2—Ga4^xxiii	2.981 (16)	O3—O3^xiii	6.89 (7)
Ga2—La1^xxiv	3.322 (11)	O3—La2^xiv	6.57 (4)
Ga2—La1^xxiii	3.328 (11)	O3—O3^xi	7.71 (7)
Ga2—La2^xxv	3.387 (11)	O3—O3^xli	7.34 (6)
Ga2—La1^i	3.402 (10)	O3—O3^xlii	7.34 (6)
Ga2—La1^ii	3.364 (10)	O3—O3^i	6.66 (8)
Ga3—O2^i	1.42 (4)	O3—O3^iii	7.6799
Ga3—O2^xii	1.42 (4)	O3—O3^xxvi	7.6799
Ga3—O5^i	2.05 (4)	O3—O3^xx	7.6800
Ga3—O5^xii	2.05 (4)	O3—O3^xxiii	7.6800
Ga3—Nb^xxv	2.980 (9)	O3—O3^xv	7.6800
Ga3—La2^xxv	3.566 (10)	O3—O3^ii	7.50 (7)
Ga3—O3^xxii	3.50 (4)	O3—O3^xliii	9.22 (7)
Ga3—O3^xx	3.50 (4)	O4—Ga2^i	1.51 (4)
Ga3—O3^xviii	4.42 (4)	O4—Ga4^xxxix	1.98 (4)
Ga3—O3^xv	4.42 (4)	O4—O7	2.36 (5)
Ga4—O7^vi	1.32 (3)	O4—O3^i	2.47 (5)
Ga4—O3^iii	1.93 (4)	O4—La2^ix	2.85 (4)
Ga4—O4^vi	1.98 (4)	O4—La1^xliv	2.25 (4)
Ga4—O6^xxvi	1.93 (4)	O4—O3^iii	2.53 (5)
Ga4—Ga2^iii	2.981 (16)	O4—O3^ii	3.97 (5)
Ga4—Nb^xxvi	3.106 (10)	O4—O3^ix	5.80 (5)
Ga4—Nb^xxvii	3.107 (9)	O5—Nb^xlv	1.81 (4)
Ga4—La1^xxv	3.505 (10)	O5—Ga1^xlv	1.81 (4)
Ga4—O3^i	4.14 (4)	O5—Ga3^ix	2.05 (4)
Ga4—O3^xxii	5.00 (4)	O5—La1^xxv	2.11 (4)
Ga4—O3^xxviii	4.35 (4)	O5—O3^xxviii	3.06 (5)
O1—La1^ii	2.06 (3)	O5—O3^iii	3.48 (5)
O1—La1^xxiii	2.52 (5)	O5—O3^xlvi	3.97 (5)
O1—O3^xxii	2.72 (5)	O5—O3^xlvii	5.44 (5)
O1—O3^xix	2.78 (5)	O5—O3^vi	4.91 (5)
O1—O3	3.50 (5)	O5—O3^xlviii	5.09 (5)
O1—O3^xv	4.82 (5)	O6—Ga4^xx	1.93 (4)
O1—O3^iv	5.04 (5)	O6—Nb^xxv	2.03 (4)
O2—Ga3^ix	1.42 (4)	O6—Ga1^xxv	2.03 (4)
O2—Ga2^i	2.05 (4)	O6—La1^i	2.11 (4)
O2—O3^iii	2.32 (5)	O6—O3^xv	3.04 (5)
O2—La2^ix	2.73 (3)	O6—O3^xxii	2.95 (5)
O2—O3^xxviii	4.44 (5)	O6—O3^xlix	3.75 (5)
O2—O3^i	5.04 (5)	O6—O3^xviii	5.29 (6)
O3—Ga4^xxiii	1.93 (4)	O7—Ga4^xxxix	1.32 (3)
O3—O7^i	2.27 (5)	O7—O3^i	2.27 (5)
O3—Ga2^xxix	1.60 (4)	O7—La2^xlv	2.58 (4)
O3—O4^i	2.47 (5)	O7—La1^xxxix	2.92 (4)
O3—La1^xxiii	2.20 (3)	O7—O3^iii	4.19 (5)
O3—O2^xxiii	2.32 (5)	O7—O3^ix	4.96 (5)
O3—O1^xxix	2.72 (5)	O7—O3^xxxviii	5.07 (5)

Symmetry codes: (i) −x+1, y, −z+1; (ii) −x, y, −z+1; (iii) x, y−1/2, z+1/2; (iv) x−1, y, z; (v) −x, y−1/2, −z+3/2; (vi) −x+1, y−1/2, −z+3/2; (vii) −x, y−1, −z+1; (viii) x−1, y−1/2, z+1/2; (ix) x, y, z+1; (x) x−1, y, z−1; (xi) −x, y, −z; (xii) x, y, z−1; (xiii) −x+1, y, −z; (xiv) x, y+1, z; (xv) x, y−1, z; (xvi) −x, y−1, −z; (xvii) x−1, y−1, z; (xviii) −x+1, y−1, −z; (xix) −x, y−1/2, −z+1/2; (xx) x, y−1/2, z−1/2; (xxi) x−1, y−1/2, z−1/2; (xxii) −x+1, y−1/2, −z+1/2; (xxiii) x, y+1/2, z−1/2; (xxiv) x+1, y+1/2, z−1/2; (xxv) x+1, y, z; (xxvi) x, y+1/2, z+1/2; (xxvii) x+1, y+1/2, z+1/2; (xxviii) −x+1, y−1, −z+1; (xxix) −x+1, y+1/2, −z+1/2; (xxx) −x+1, y+1, −z+1; (xxxi) −x, y+1/2, −z+1/2; (xxxii) −x, y+1, −z+1; (xxxiii) x−1, y+1, z; (xxxiv) x+1, y+1, z; (xxxv) x−1, y+1/2, z−1/2; (xxxvi) x, y+1, z−1; (xxxvii) −x+1, y+1, −z; (xxxviii) −x+2, y, −z+1; (xxxix) −x+1, y+1/2, −z+3/2; (xl) −x+2, y+1, −z+1; (xli) −x+2, y−1/2, −z+1/2; (xlii) −x+2, y+1/2, −z+1/2; (xliii) −x+2, y, −z; (xliv) −x, y+1/2, −z+3/2; (xlv) x+1, y, z+1; (xlvi) x+1, y−1/2, z+1/2; (xlvii) x, y−1, z+1; (xlviii) −x+2, y−1, −z+1; (xlix) x+1, y−1, z.

(22.85split)

Crystal data

Ga5.50La3Nb0.50O14	V = 253.9 Å^3
Mr = 1070.65	Z = 1
?, ?	F(000) = 474
a = 7.680 Å	Dx = 7.003 Mg m^−3
b = 7.680 Å	? radiation, λ = 0.54920 Å
c = 4.970 Å	µ = 15.90 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.000
Graphite monochromator	θmax = 29.8°, θmin = 3.2°
218 measured reflections	h = −10→10
218 independent reflections	k = −8→8
209 reflections with I > 2σ(I)	l = −5→7

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.132	(Δ/σ)max = 0.340
wR(F^2) = 0.343	Δρmax = 3.37 e Å^−3
S = 2.54	Δρmin = −2.31 e Å^−3
218 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
32 parameters	Extinction coefficient: 0.00 (2)
0 restraints	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: −0.3 (6)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La	0.4398 (10)	0.0000	0.0000	0.050 (3)
Ga1	0.0000	0.0000	0.0000	0.048 (5)	0.50
Ga2	0.6667	0.3333	0.499 (2)	0.051 (5)
Ga3	0.7673 (18)	0.0000	0.5000	0.050 (4)
Nb	0.0000	0.0000	0.0000	0.048 (5)	0.50
O1	0.6667	0.3333	−0.085 (17)	0.05 (2)*
O2	0.762 (11)	0.164 (12)	0.322 (15)	0.030*	0.56 (7)
O21	0.450 (13)	0.433 (15)	0.46 (2)	0.030*	0.44 (7)
O3	0.178 (11)	−0.065 (11)	0.219 (11)	0.10 (3)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La	0.060 (5)	0.036 (4)	0.046 (4)	0.018 (2)	0.0026 (15)	0.005 (3)
Ga1	0.058 (8)	0.058 (8)	0.027 (10)	0.029 (4)	0.000	0.000
Ga2	0.071 (8)	0.071 (8)	0.011 (7)	0.036 (4)	0.000	0.000
Ga3	0.047 (5)	0.077 (9)	0.034 (7)	0.039 (5)	−0.004 (3)	−0.008 (6)
Nb	0.058 (8)	0.058 (8)	0.027 (10)	0.029 (4)	0.000	0.000

Bond lengths (Å)

La—O21^i	2.45 (12)	O2—O3^ii	4.32 (12)
La—O21^ii	2.45 (12)	O2—O21^vii	4.50 (15)
La—O3^iii	2.11 (7)	O2—Ga3^xl	4.36 (9)
La—O3	2.11 (7)	O2—O3^xxxvii	4.90 (13)
La—O1	2.303 (16)	O2—O21^xx	4.88 (12)
La—O1^iv	2.303 (16)	O2—O2^xxix	4.50 (15)
La—O2^iii	2.67 (8)	O2—O3^xli	4.72 (12)
La—O2	2.67 (8)	O2—O21^xvii	4.61 (14)
La—O2^v	2.55 (7)	O2—Ga3^xx	5.15 (7)
La—O2^iv	2.55 (8)	O2—O2^xiv	4.9700
La—O21^vi	2.85 (11)	O2—O2^xxv	4.9700 (1)
La—O21^vii	2.85 (11)	O2—O2^xxvi	5.16 (11)
Ga1—O3^viii	2.00 (8)	O2—O2^iv	5.16 (11)
Ga1—O3	2.00 (8)	O2—O3^xxx	5.16 (12)
Ga1—O3^ix	2.00 (8)	O2—O3^xiii	5.10 (13)
Ga1—O3^x	2.00 (8)	O2—O3^v	5.09 (11)
Ga1—O3^xi	2.00 (8)	O2—O21^xxiv	5.01 (15)
Ga1—O3^iii	2.00 (8)	O2—O21^xix	5.36 (15)
Ga1—La^viii	3.378 (7)	O2—O3^xlii	4.93 (12)
Ga1—La^x	3.378 (7)	O2—La^xliii	5.26 (8)
Ga1—O2^xii	3.13 (8)	O2—O21^xliv	4.93 (14)
Ga1—O2^v	3.13 (8)	O2—O3^ix	5.70 (10)
Ga1—O2^xiii	3.13 (8)	O2—O21^xxii	4.66 (13)
Ga2—O1^xiv	2.07 (8)	O2—O2^xxxviii	4.66 (14)
Ga2—O2^i	1.98 (8)	O2—O2^xlv	4.66 (14)
Ga2—O2^v	1.98 (8)	O2—O2^vi	5.48 (11)
Ga2—O2	1.98 (8)	O2—O2^xxxvii	5.48 (11)
Ga2—O21^v	2.16 (13)	O2—O3^xlvi	4.92 (11)
Ga2—O21	2.16 (13)	O2—O3^xlvii	5.17 (10)
Ga2—O21^i	2.16 (13)	O2—Ga2^iv	5.43 (8)
Ga2—O21^xv	2.38 (13)	O2—O21^viii	5.63 (16)
Ga2—O21^xvi	2.38 (12)	O21—O2^v	1.51 (13)
Ga2—O21^vi	2.38 (12)	O21—O21^xvi	0.5 (2)
Ga2—Ga3	3.022 (9)	O21—Ga3^v	1.62 (8)
Ga2—Ga3^xvii	3.022 (9)	O21—La^v	2.45 (12)
Ga3—O3^xvii	1.93 (6)	O21—O2^xxxvii	1.88 (12)
Ga3—O3^xviii	1.93 (6)	O21—O2^i	2.66 (11)
Ga3—O2	1.56 (8)	O21—Ga2^xvi	2.38 (12)
Ga3—O2^xix	1.56 (8)	O21—O1^xiv	3.13 (14)
Ga3—O21^vi	1.62 (8)	O21—O3^ix	2.82 (10)
Ga3—O21^i	1.62 (8)	O21—O1^viii	3.01 (16)
Ga3—O3^i	2.53 (8)	O21—O3^v	2.98 (12)
Ga3—O3^vi	2.53 (8)	O21—O3^xix	2.93 (13)
Ga3—Ga2^xx	3.022 (9)	O21—La^xliii	2.85 (11)
Ga3—Nb^xxi	3.061 (8)	O21—O21^i	3.7 (2)
Ga3—Nb^xxii	3.061 (8)	O21—O21^v	3.7 (2)
Nb—O3^viii	2.00 (8)	O21—O2^xlviii	2.93 (12)
Nb—O3	2.00 (8)	O21—O3^xxxvii	3.14 (11)
Nb—O3^ix	2.00 (8)	O21—Ga3^xvii	3.69 (8)
Nb—O3^x	2.00 (8)	O21—O3	3.52 (12)
Nb—O3^xi	2.00 (8)	O21—Ga3^xlix	3.79 (9)
Nb—O3^iii	2.00 (8)	O21—O2^xiii	4.16 (14)
Nb—Ga3^v	3.061 (8)	O21—O21^vi	3.92 (4)
Nb—Ga3^xii	3.061 (8)	O21—O21^xxxvii	3.92 (4)
Nb—Ga3^xx	3.061 (8)	O21—O3^iii	4.16 (11)
Nb—Ga3^xxiii	3.061 (8)	O21—O21^viii	4.6 (2)
Nb—Ga3^xxiv	3.061 (8)	O21—O21^xlviii	3.97 (4)
Nb—Ga3^iv	3.061 (8)	O21—O21^xv	3.97 (4)
O1—Ga2^xxv	2.07 (8)	O21—O3^xiii	4.31 (12)
O1—La^xxvi	2.303 (16)	O21—O3^xvi	3.78 (12)
O1—La^v	2.303 (16)	O21—La^xiv	4.25 (14)
O1—O2^i	2.69 (11)	O21—La^viii	4.16 (13)
O1—O2^v	2.69 (11)	O21—La^xxvi	4.77 (10)
O1—O2	2.69 (11)	O21—O2^xvi	4.24 (14)
O1—O21^xxv	3.13 (14)	O21—O2^xxviii	4.73 (15)
O1—O21^xxiv	3.13 (14)	O21—Ga3^xx	4.52 (9)
O1—O21^vii	3.13 (14)	O21—O3^xxx	5.10 (12)
O1—O21^xxvii	3.01 (16)	O21—O21^l	4.1 (2)
O1—O21^viii	3.01 (16)	O21—O21^li	4.1 (2)
O1—O21^ii	3.01 (16)	O21—O1^xvi	3.92 (13)
O1—O3^xiii	2.93 (9)	O21—Nb^xiv	4.33 (10)
O1—O3^iii	2.93 (9)	O21—Ga1^xiv	4.33 (10)
O1—O3^xxvi	2.93 (9)	O21—Ga1^xxx	4.86 (10)
O1—O2^vii	3.45 (10)	O21—Nb^xxx	4.86 (10)
O1—O2^xxiv	3.45 (10)	O21—O2^xliii	4.50 (15)
O1—O2^xxv	3.45 (10)	O21—O2^xvii	4.88 (12)
O1—O21^v	3.45 (12)	O21—Ga3^xxiv	5.02 (12)
O1—O21^i	3.45 (12)	O21—La^xvi	4.40 (10)
O1—O21	3.45 (12)	O21—Ga2^xxv	5.23 (11)
O1—Ga3^xxvi	3.66 (5)	O21—Ga3^xii	4.60 (8)
O1—Ga3^xxiv	3.66 (5)	O21—O2^xx	4.61 (14)
O1—Ga3^xxv	3.66 (5)	O21—La^xvii	4.99 (13)
O1—O2^xxvi	3.77 (8)	O21—O3^viii	4.80 (14)
O1—O2^xiii	3.77 (8)	O21—O21^xiv	4.9700
O1—O2^iii	3.77 (8)	O21—O21^xxv	4.9700 (1)
O1—O3^i	3.77 (7)	O21—O3^lii	4.57 (13)
O1—O3	3.77 (7)	O21—La^xlix	4.95 (14)
O1—O3^v	3.77 (7)	O21—O3^xvii	5.25 (17)
O1—O2^xxviii	4.31 (8)	O21—O2^xlvi	5.01 (15)
O1—O2^xxix	4.31 (8)	O21—O2^xix	5.36 (15)
O1—O2^iv	4.31 (8)	O21—O3^xliii	4.67 (12)
O1—Ga3^xvii	4.19 (6)	O21—O2^xlix	4.93 (14)
O1—Ga3^v	4.19 (6)	O21—O3^x	5.17 (11)
O1—Ga1^xxx	4.454 (8)	O21—Nb^liii	5.07 (8)
O1—Nb^xxx	4.454 (8)	O21—Ga1^liii	5.07 (8)
O1—Nb^xxii	4.454 (8)	O21—O3^liv	5.28 (12)
O1—Ga1^xxii	4.454 (8)	O21—Ga2^viii	5.31 (14)
O1—O3^xviii	4.57 (7)	O21—O2^xii	4.66 (13)
O1—O3^xxx	4.57 (7)	O21—O3^lv	5.27 (11)
O1—O3^ix	4.57 (7)	O21—Ga2^xx	5.49 (12)
O1—O21^xv	3.92 (13)	O21—O3^xiv	5.03 (15)
O1—O21^xvi	3.92 (13)	O21—O2^viii	5.63 (16)
O1—O21^vi	3.92 (13)	O21—O1^iv	5.79 (11)
O1—O3^vii	4.89 (8)	O21—O3^i	5.72 (13)
O1—O3^xxv	4.89 (8)	O3—Ga3^xx	1.93 (6)
O1—O3^xxiv	4.89 (8)	O3—Ga3^v	2.53 (8)
O1—O1^viii	4.51 (3)	O3—O2^v	2.15 (10)
O1—O1^xxvi	4.51 (3)	O3—O3^iii	2.34 (12)
O1—O1^iv	4.51 (3)	O3—O3^ix	2.90 (16)
O1—Ga2^viii	4.89 (4)	O3—O3^x	2.90 (16)
O1—Ga2^xxvi	4.89 (4)	O3—O2^lvi	2.66 (11)
O1—Ga2^iv	4.89 (4)	O3—O2^xx	2.62 (9)
O1—La^xxv	5.08 (7)	O3—O3^xix	2.93 (12)
O1—La^xxiv	5.08 (7)	O3—O21^x	2.82 (10)
O1—La^xxxi	5.08 (7)	O3—O1^iv	2.93 (9)
O1—O1^xiv	4.9700	O3—O21^i	2.98 (12)
O1—O1^xxv	4.9700	O3—O21^xix	2.93 (13)
O1—Ga3^xxxii	5.21 (3)	O3—O3^xi	3.22 (12)
O1—Ga3^iv	5.21 (3)	O3—O2^iv	2.98 (10)
O1—Ga3^xxxiii	5.21 (3)	O3—Ga2^xx	3.18 (9)
O1—O3^xxxiv	5.53 (8)	O3—O21^vi	3.14 (11)
O1—O3^xxxv	5.53 (8)	O3—O3^lv	3.67 (13)
O1—O3^xxxvi	5.53 (8)	O3—La^iv	3.51 (8)
O1—O3^viii	5.17 (9)	O3—Ga3^xii	3.71 (9)
O1—O3^xxvii	5.17 (9)	O3—Ga3^iv	3.81 (6)
O1—O3^ii	5.17 (9)	O3—O3^viii	3.90 (16)
O1—O3^xxxvii	5.16 (11)	O3—O21^iii	4.16 (11)
O1—O3^xix	5.16 (11)	O3—O3^xvi	4.27 (16)
O1—O3^xvii	5.16 (11)	O3—Ga1^xiv	4.23 (6)
O1—O21^xiii	5.79 (11)	O3—Nb^xiv	4.23 (6)
O1—O21^xxvi	5.79 (11)	O3—La^x	4.28 (7)
O1—O21^iii	5.79 (11)	O3—O2^xix	4.32 (12)
O1—O2^xvii	5.22 (9)	O3—O21^ii	4.31 (12)
O2—O21^i	1.51 (13)	O3—O21^xvi	3.78 (12)
O2—O21^vi	1.88 (12)	O3—Ga3^xxiv	4.15 (7)
O2—O21^v	2.66 (11)	O3—La^xiv	4.29 (6)
O2—O3^i	2.15 (10)	O3—O2^xxxvii	4.08 (13)
O2—La^xxvi	2.55 (8)	O3—Ga2^lvii	4.54 (7)
O2—O2^i	3.08 (15)	O3—O2^iii	4.54 (12)
O2—O2^v	3.08 (15)	O3—La^v	4.33 (7)
O2—O3^xviii	2.66 (11)	O3—O2^xii	4.38 (14)
O2—O3^xvii	2.62 (9)	O3—O2^xiii	4.32 (12)
O2—O2^xix	2.81 (16)	O3—O1^lvii	4.57 (7)
O2—O1^xiv	3.45 (10)	O3—O21^lvii	5.10 (12)
O2—O3^xxvi	2.98 (10)	O3—Ga2^iv	4.56 (8)
O2—O21^xv	2.93 (12)	O3—O1^xiv	4.89 (8)
O2—O21	3.92 (15)	O3—O2^vi	4.90 (13)
O2—Nb^xxii	3.13 (8)	O3—La^viii	4.84 (9)
O2—Ga1^xxii	3.13 (8)	O3—O2^lviii	4.72 (12)
O2—O1^iv	3.77 (8)	O3—Ga3^xxiii	4.95 (7)
O2—Ga2^xx	3.70 (8)	O3—O21^viii	4.80 (14)
O2—Ga3^xxxviii	3.50 (8)	O3—O3^xiv	4.9700
O2—O3	3.94 (11)	O3—O3^xxv	4.9700
O2—O2^iii	3.87 (15)	O3—O2^lvii	5.16 (12)
O2—La^xiv	3.99 (7)	O3—O21^lix	4.57 (13)
O2—O21^ii	4.16 (14)	O3—O2^ii	5.10 (13)
O2—La^xvii	3.91 (8)	O3—La^xx	5.12 (7)
O2—Ga3^xvii	4.14 (8)	O3—O2^i	5.09 (11)
O2—La^v	4.35 (9)	O3—O21^xx	5.25 (17)
O2—O2^xxxix	3.63 (15)	O3—O3^xviii	4.94 (16)
O2—Ga3^v	4.44 (8)	O3—O3^lvi	4.94 (16)
O2—O3^xix	4.32 (12)	O3—O21^vii	4.67 (12)
O2—Ga3^xxv	4.28 (7)	O3—O2^lx	4.93 (12)
O2—O3^vi	4.08 (13)	O3—O1^lxi	5.53 (8)
O2—O2^xvii	4.42 (8)	O3—O21^ix	5.17 (11)
O2—O2^xx	4.42 (8)	O3—O21^lxii	5.28 (12)
O2—Ga2^xxv	4.46 (8)	O3—O2^x	5.70 (10)
O2—O21^xvi	4.24 (14)	O3—O1^viii	5.17 (9)
O2—O1^xxvi	4.31 (8)	O3—Ga2^xxv	4.98 (6)
O2—Ga2^xvii	4.24 (7)	O3—La^xviii	5.15 (9)
O2—O3^iii	4.54 (12)	O3—O2^xxiv	4.92 (11)
O2—La^xviii	4.39 (8)	O3—O21^lv	5.27 (11)
O2—O21^xxvii	4.73 (15)	O3—O2^lxiii	5.17 (10)
O2—Ga1^xxi	4.31 (8)	O3—Ga2^xvi	5.32 (8)
O2—Nb^xxi	4.31 (8)	O3—O21^xxv	5.03 (15)
O2—O3^xxii	4.38 (14)	O3—O1^xx	5.16 (11)

Symmetry codes: (i) −y+1, x−y, z; (ii) −x+1, −x+y, −z; (iii) x−y, −y, −z; (iv) y, x−1, −z; (v) −x+y+1, −x+1, z; (vi) −x+1, −x+y, −z+1; (vii) −y+1, x−y, z−1; (viii) y, x, −z; (ix) −y, x−y, z; (x) −x+y, −x, z; (xi) −x, −x+y, −z; (xii) x−1, y, z; (xiii) −x+1, −x+y+1, −z; (xiv) x, y, z+1; (xv) x−y+1, −y+1, −z+1; (xvi) y, x, −z+1; (xvii) y+1, x, −z+1; (xviii) −x+y+1, −x, z; (xix) x−y, −y, −z+1; (xx) y, x−1, −z+1; (xxi) x+1, y, z+1; (xxii) x+1, y, z; (xxiii) x−1, y, z−1; (xxiv) −x+y+1, −x+1, z−1; (xxv) x, y, z−1; (xxvi) y+1, x, −z; (xxvii) x−y+1, −y+1, −z; (xxviii) x−y, −y+1, −z; (xxix) −x+2, −x+y+1, −z; (xxx) x+1, y+1, z; (xxxi) y+1, x, −z−1; (xxxii) x, y+1, z−1; (xxxiii) −x+y+2, −x+1, z−1; (xxxiv) −x+y+1, −x, z−1; (xxxv) x+1, y+1, z−1; (xxxvi) −y, x−y, z−1; (xxxvii) −x+1, −x+y+1, −z+1; (xxxviii) −x+y+2, −x+1, z; (xxxix) −x+2, −x+y+1, −z+1; (xl) y+1, x−1, −z+1; (xli) x−y+1, −y, −z+1; (xlii) x−y+1, −y, −z; (xliii) −x+y+1, −x+1, z+1; (xliv) x, y−1, z; (xlv) −y+1, x−y−1, z; (xlvi) −y+1, x−y, z+1; (xlvii) −x+y+1, −x, z+1; (xlviii) x−y, −y+1, −z+1; (xlix) x, y+1, z; (l) −x+y, −x+1, z; (li) −y+1, x−y+1, z; (lii) −y, x−y, z+1; (liii) x+1, y+1, z+1; (liv) y+1, x+1, −z+1; (lv) −x, −x+y, −z+1; (lvi) −y, x−y−1, z; (lvii) x−1, y−1, z; (lviii) x−y−1, −y, −z+1; (lix) −x+y, −x, z−1; (lx) x−y−1, −y, −z; (lxi) x−1, y−1, z+1; (lxii) y−1, x−1, −z+1; (lxiii) −y, x−y−1, z−1.

(3.3cad4)

Crystal data

Ga5.54La3O14Ta0.46	V = 293.2 Å^3
Mr = 1110.22	Z = 1
?, ?	F(000) = 488
a = 8.155 Å	Dx = 6.287 Mg m^−3
b = 8.155 Å	Mo Kα radiation, λ = 0.71073 Å
c = 5.091 Å	µ = 27.53 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.063
Graphite monochromator	θmax = 32.0°, θmin = 2.9°
1624 measured reflections	h = −10→10
433 independent reflections	k = −11→11
431 reflections with I > 2σ(I)	l = −4→4

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.037	(Δ/σ)max < 0.001
wR(F^2) = 0.109	Δρmax = 1.60 e Å^−3
S = 1.04	Δρmin = −1.27 e Å^−3
433 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
39 parameters	Extinction coefficient: 0.142 (14)
0 restraints	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: −0.01 (6)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La	0.42716 (12)	0.0000	0.0000	0.0224 (4)
Ga1	0.0000	0.0000	0.0000	0.0239 (6)	0.50
Ta	0.0000	0.0000	0.0000	0.0239 (6)	0.50
Ga2	0.6667	0.3333	0.4680 (8)	0.0243 (8)
Ga3	0.7636 (2)	0.0000	0.5000	0.0245 (6)
O1	0.3333	−0.3333	0.163 (5)	0.030 (5)
O2	0.5468 (14)	−0.1479 (12)	−0.301 (3)	0.027 (3)
O3	0.7831 (12)	−0.1433 (14)	0.240 (2)	0.027 (3)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La	0.0206 (4)	0.0187 (5)	0.0272 (10)	0.0094 (2)	0.00043 (19)	0.0009 (4)
Ga1	0.0200 (6)	0.0200 (6)	0.032 (2)	0.0100 (3)	0.000	0.000
Ta	0.0200 (6)	0.0200 (6)	0.032 (2)	0.0100 (3)	0.000	0.000
Ga2	0.0202 (7)	0.0202 (7)	0.033 (2)	0.0101 (4)	0.000	0.000
Ga3	0.0198 (7)	0.0207 (9)	0.033 (2)	0.0104 (5)	−0.0031 (4)	−0.0063 (8)
O1	0.017 (4)	0.017 (4)	0.055 (18)	0.009 (2)	0.000	0.000
O2	0.018 (4)	0.023 (4)	0.036 (10)	0.006 (4)	0.007 (4)	−0.015 (4)
O3	0.017 (4)	0.033 (5)	0.022 (10)	0.005 (4)	−0.015 (4)	−0.018 (4)

Geometric parameters (Å, º)

La—O3^i	2.412 (8)	Ta—O3^vii	1.979 (11)
La—O3^ii	2.412 (8)	Ta—O3^viii	1.979 (11)
La—O2^iii	2.436 (10)	Ta—La^ix	3.4835 (10)
La—O2	2.436 (10)	Ta—La^x	3.4836 (10)
La—O1	2.567 (8)	Ga2—O2^iii	1.846 (11)
La—O1^iv	2.567 (8)	Ga2—O2^iv	1.846 (11)
La—O2^ii	2.839 (12)	Ga2—O2^i	1.846 (11)
La—O2^i	2.839 (12)	Ga2—O1^xi	1.88 (2)
La—Ga2	3.402 (3)	Ga2—La^iv	3.402 (3)
La—Ga2^v	3.402 (3)	Ga2—La^viii	3.402 (3)
La—Ga1	3.4835 (10)	Ga3—O3	1.826 (11)
La—Ta	3.4835 (10)	Ga3—O3^xii	1.826 (11)
Ga1—O3^v	1.979 (11)	Ga3—O2^xiii	1.864 (11)
Ga1—O3^i	1.979 (11)	Ga3—O2^iii	1.864 (11)
Ga1—O3^ii	1.979 (11)	O1—Ga2^xiv	1.88 (2)
Ga1—O3^vi	1.979 (11)	O1—La^xv	2.567 (8)
Ga1—O3^vii	1.979 (11)	O1—La^v	2.567 (8)
Ga1—O3^viii	1.979 (11)	O2—Ga2^v	1.846 (11)
Ga1—La^ix	3.4835 (10)	O2—Ga3^xvi	1.864 (11)
Ga1—La^x	3.4836 (10)	O2—La^xv	2.839 (12)
Ta—O3^v	1.979 (11)	O3—Ta^xvii	1.979 (11)
Ta—O3^i	1.979 (11)	O3—Ga1^xvii	1.979 (11)
Ta—O3^ii	1.979 (11)	O3—La^xv	2.412 (8)
Ta—O3^vi	1.979 (11)
O3^i—La—O3^ii	66.7 (6)	O3^viii—Ga1—La	98.3 (3)
O3^i—La—O2^iii	140.1 (4)	La^ix—Ga1—La	120.0
O3^ii—La—O2^iii	108.4 (4)	O3^v—Ga1—La^x	126.8 (3)
O3^i—La—O2	108.4 (4)	O3^i—Ga1—La^x	98.3 (3)
O3^ii—La—O2	140.1 (4)	O3^ii—Ga1—La^x	126.8 (3)
O2^iii—La—O2	99.2 (6)	O3^vi—Ga1—La^x	42.1 (3)
O3^i—La—O1	123.7 (3)	O3^vii—Ga1—La^x	98.3 (3)
O3^ii—La—O1	80.3 (4)	O3^viii—Ga1—La^x	42.1 (3)
O2^iii—La—O1	92.3 (4)	La^ix—Ga1—La^x	120.0
O2—La—O1	70.1 (5)	La—Ga1—La^x	120.0
O3^i—La—O1^iv	80.3 (4)	O3^v—Ta—O3^i	86.0 (4)
O3^ii—La—O1^iv	123.7 (3)	O3^v—Ta—O3^ii	106.5 (6)
O2^iii—La—O1^iv	70.1 (5)	O3^i—Ta—O3^ii	84.1 (5)
O2—La—O1^iv	92.3 (4)	O3^v—Ta—O3^vi	86.0 (4)
O1—La—O1^iv	153.23 (9)	O3^i—Ta—O3^vi	86.0 (4)
O3^i—La—O2^ii	65.6 (4)	O3^ii—Ta—O3^vi	163.5 (6)
O3^ii—La—O2^ii	78.8 (4)	O3^v—Ta—O3^vii	84.1 (5)
O2^iii—La—O2^ii	154.28 (14)	O3^i—Ta—O3^vii	163.5 (6)
O2—La—O2^ii	64.6 (4)	O3^ii—Ta—O3^vii	86.0 (4)
O1—La—O2^ii	64.1 (5)	O3^vi—Ta—O3^vii	106.5 (6)
O1^iv—La—O2^ii	127.3 (5)	O3^v—Ta—O3^viii	163.5 (6)
O3^i—La—O2^i	78.8 (4)	O3^i—Ta—O3^viii	106.5 (6)
O3^ii—La—O2^i	65.6 (4)	O3^ii—Ta—O3^viii	86.0 (4)
O2^iii—La—O2^i	64.6 (4)	O3^vi—Ta—O3^viii	84.1 (5)
O2—La—O2^i	154.28 (14)	O3^vii—Ta—O3^viii	86.0 (4)
O1—La—O2^i	127.3 (5)	O3^v—Ta—La^ix	42.1 (3)
O1^iv—La—O2^i	64.1 (5)	O3^i—Ta—La^ix	126.8 (3)
O2^ii—La—O2^i	137.3 (4)	O3^ii—Ta—La^ix	98.3 (3)
O3^i—La—Ga2	110.6 (3)	O3^vi—Ta—La^ix	98.3 (3)
O3^ii—La—Ga2	86.6 (3)	O3^vii—Ta—La^ix	42.1 (3)
O2^iii—La—Ga2	31.7 (2)	O3^viii—Ta—La^ix	126.8 (3)
O2—La—Ga2	128.6 (3)	O3^v—Ta—La	98.3 (3)
O1—La—Ga2	111.6 (5)	O3^i—Ta—La	42.1 (3)
O1^iv—La—Ga2	63.4 (5)	O3^ii—Ta—La	42.1 (3)
O2^ii—La—Ga2	165.2 (2)	O3^vi—Ta—La	126.8 (3)
O2^i—La—Ga2	32.9 (2)	O3^vii—Ta—La	126.8 (3)
O3^i—La—Ga2^v	86.6 (3)	O3^viii—Ta—La	98.3 (3)
O3^ii—La—Ga2^v	110.6 (3)	La^ix—Ta—La	120.0
O2^iii—La—Ga2^v	128.6 (3)	O3^v—Ta—La^x	126.8 (3)
O2—La—Ga2^v	31.7 (2)	O3^i—Ta—La^x	98.3 (3)
O1—La—Ga2^v	63.4 (5)	O3^ii—Ta—La^x	126.8 (3)
O1^iv—La—Ga2^v	111.6 (5)	O3^vi—Ta—La^x	42.1 (3)
O2^ii—La—Ga2^v	32.9 (2)	O3^vii—Ta—La^x	98.3 (3)
O2^i—La—Ga2^v	165.2 (2)	O3^viii—Ta—La^x	42.1 (3)
Ga2—La—Ga2^v	159.89 (4)	La^ix—Ta—La^x	120.0
O3^i—La—Ga1	33.4 (3)	La—Ta—La^x	120.0
O3^ii—La—Ga1	33.4 (3)	O2^iii—Ga2—O2^iv	100.5 (5)
O2^iii—La—Ga1	130.4 (3)	O2^iii—Ga2—O2^i	100.5 (5)
O2—La—Ga1	130.4 (3)	O2^iv—Ga2—O2^i	100.5 (5)
O1—La—Ga1	103.38 (5)	O2^iii—Ga2—O1^xi	117.4 (4)
O1^iv—La—Ga1	103.38 (5)	O2^iv—Ga2—O1^xi	117.4 (4)
O2^ii—La—Ga1	68.7 (2)	O2^i—Ga2—O1^xi	117.4 (4)
O2^i—La—Ga1	68.7 (2)	O2^iii—Ga2—La	43.9 (3)
Ga2—La—Ga1	100.057 (18)	O2^iv—Ga2—La	107.7 (4)
Ga2^v—La—Ga1	100.058 (18)	O2^i—Ga2—La	56.6 (4)
O3^i—La—Ta	33.4 (3)	O1^xi—Ga2—La	134.46 (5)
O3^ii—La—Ta	33.4 (3)	O2^iii—Ga2—La^iv	56.6 (4)
O2^iii—La—Ta	130.4 (3)	O2^iv—Ga2—La^iv	43.9 (3)
O2—La—Ta	130.4 (3)	O2^i—Ga2—La^iv	107.7 (5)
O1—La—Ta	103.38 (5)	O1^xi—Ga2—La^iv	134.46 (5)
O1^iv—La—Ta	103.38 (5)	La—Ga2—La^iv	76.36 (7)
O2^ii—La—Ta	68.7 (2)	O2^iii—Ga2—La^viii	107.7 (4)
O2^i—La—Ta	68.7 (2)	O2^iv—Ga2—La^viii	56.6 (4)
Ga2—La—Ta	100.057 (18)	O2^i—Ga2—La^viii	43.9 (3)
Ga2^v—La—Ta	100.058 (18)	O1^xi—Ga2—La^viii	134.46 (5)
Ga1—La—Ta	0.0	La—Ga2—La^viii	76.36 (7)
O3^v—Ga1—O3^i	86.0 (4)	La^iv—Ga2—La^viii	76.36 (7)
O3^v—Ga1—O3^ii	106.5 (6)	O3—Ga3—O3^xii	132.0 (5)
O3^i—Ga1—O3^ii	84.1 (5)	O3—Ga3—O2^xiii	109.8 (5)
O3^v—Ga1—O3^vi	86.0 (4)	O3^xii—Ga3—O2^xiii	99.8 (5)
O3^i—Ga1—O3^vi	86.0 (4)	O3—Ga3—O2^iii	99.8 (5)
O3^ii—Ga1—O3^vi	163.5 (6)	O3^xii—Ga3—O2^iii	109.8 (5)
O3^v—Ga1—O3^vii	84.1 (5)	O2^xiii—Ga3—O2^iii	102.7 (7)
O3^i—Ga1—O3^vii	163.5 (6)	Ga2^xiv—O1—La	108.9 (5)
O3^ii—Ga1—O3^vii	86.0 (4)	Ga2^xiv—O1—La^xv	108.9 (5)
O3^vi—Ga1—O3^vii	106.5 (6)	La—O1—La^xv	110.0 (5)
O3^v—Ga1—O3^viii	163.5 (6)	Ga2^xiv—O1—La^v	108.9 (5)
O3^i—Ga1—O3^viii	106.5 (6)	La—O1—La^v	110.0 (5)
O3^ii—Ga1—O3^viii	86.0 (4)	La^xv—O1—La^v	110.0 (5)
O3^vi—Ga1—O3^viii	84.1 (5)	Ga2^v—O2—Ga3^xvi	118.7 (7)
O3^vii—Ga1—O3^viii	86.0 (4)	Ga2^v—O2—La	104.4 (4)
O3^v—Ga1—La^ix	42.1 (3)	Ga3^xvi—O2—La	120.4 (4)
O3^i—Ga1—La^ix	126.8 (3)	Ga2^v—O2—La^xv	90.6 (4)
O3^ii—Ga1—La^ix	98.3 (3)	Ga3^xvi—O2—La^xv	112.7 (4)
O3^vi—Ga1—La^ix	98.3 (3)	La—O2—La^xv	105.5 (5)
O3^vii—Ga1—La^ix	42.1 (3)	Ga3—O3—Ta^xvii	114.0 (5)
O3^viii—Ga1—La^ix	126.8 (3)	Ga3—O3—Ga1^xvii	114.0 (5)
O3^v—Ga1—La	98.3 (3)	Ta^xvii—O3—Ga1^xvii	0.0
O3^i—Ga1—La	42.1 (3)	Ga3—O3—La^xv	137.2 (5)
O3^ii—Ga1—La	42.1 (3)	Ta^xvii—O3—La^xv	104.6 (5)
O3^vi—Ga1—La	126.8 (3)	Ga1^xvii—O3—La^xv	104.6 (5)
O3^vii—Ga1—La	126.8 (3)

Symmetry codes: (i) −x+1, −x+y+1, −z; (ii) −y, x−y−1, z; (iii) x−y, −y, −z; (iv) y+1, x, −z; (v) y, x−1, −z; (vi) x−y−1, −y, −z; (vii) x−1, y, z; (viii) −x+y+1, −x+1, z; (ix) −x+y, −x, z; (x) y, x, −z; (xi) y+1, x, −z+1; (xii) x−y, −y, −z+1; (xiii) x, y, z+1; (xiv) y, x−1, −z+1; (xv) −x+y+1, −x, z; (xvi) x, y, z−1; (xvii) x+1, y, z.

(3d3)

Crystal data

Ga5.54La3O14Ta0.46	V = 293.9 Å^3
Mr = 1110.22	Z = 1
?, ?	F(000) = 488
a = 8.158 Å	Dx = 6.273 Mg m^−3
b = 8.158 Å	Ag Kα radiation, λ = 0.56000 Å
c = 5.099 Å	µ = 14.50 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.000
Graphite monochromator	θmax = 38.5°, θmin = 2.3°
759 measured reflections	h = −14→14
759 independent reflections	k = −15→15
756 reflections with I > 2σ(I)	l = −9→8

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.039	(Δ/σ)max < 0.001
wR(F^2) = 0.136	Δρmax = 2.58 e Å^−3
S = 1.14	Δρmin = −2.14 e Å^−3
759 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
39 parameters	Extinction coefficient: 0.023 (5)
0 restraints	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.16 (7)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La	−0.42713 (10)	0.0000	0.0000	0.00852 (17)
Ga1	0.0000	0.0000	0.0000	0.0078 (3)	0.50
Ta	0.0000	0.0000	0.0000	0.0078 (3)	0.50
Ga2	−0.6667	−0.3333	0.4694 (4)	0.0077 (3)
Ga3	−0.7634 (2)	0.0000	−0.5000	0.0101 (3)
O1	−0.3333	0.3333	0.178 (2)	0.0042 (16)
O2	−0.1491 (12)	0.3077 (15)	−0.3031 (17)	0.0157 (17)
O3	−0.1439 (13)	0.0749 (14)	0.2404 (14)	0.0153 (16)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La	0.0089 (3)	0.0069 (3)	0.0092 (3)	0.00346 (16)	−0.00029 (11)	−0.0006 (2)
Ga1	0.0083 (4)	0.0083 (4)	0.0067 (6)	0.00417 (19)	0.000	0.000
Ta	0.0083 (4)	0.0083 (4)	0.0067 (6)	0.00417 (19)	0.000	0.000
Ga2	0.0077 (5)	0.0077 (5)	0.0078 (7)	0.0038 (2)	0.000	0.000
Ga3	0.0071 (5)	0.0112 (7)	0.0133 (7)	0.0056 (3)	0.0026 (3)	0.0051 (5)
O1	0.004 (3)	0.004 (3)	0.005 (4)	0.0019 (13)	0.000	0.000
O2	0.016 (4)	0.025 (5)	0.013 (4)	0.016 (4)	−0.005 (3)	−0.010 (3)
O3	0.017 (4)	0.019 (4)	0.010 (3)	0.009 (4)	−0.002 (2)	−0.009 (3)

Geometric parameters (Å, º)

La—O3^i	2.409 (9)	Ta—O3	1.993 (8)
La—O3	2.409 (9)	Ta—O3^viii	1.993 (8)
La—O2^ii	2.432 (9)	Ta—O3^i	1.993 (8)
La—O2^iii	2.432 (9)	Ta—La^v	3.4844 (8)
La—O1^ii	2.593 (4)	Ta—La^vii	3.4844 (8)
La—O1	2.593 (4)	Ga2—O1^ix	1.797 (12)
La—O2	2.853 (10)	Ga2—O2^x	1.826 (9)
La—O2^i	2.853 (10)	Ga2—O2^ii	1.826 (9)
La—Ga2	3.4098 (14)	Ga2—O2^i	1.826 (9)
La—Ga2^iv	3.4098 (14)	Ga2—La^xi	3.4097 (14)
La—Ga1	3.4844 (8)	Ga2—La^ii	3.4098 (14)
La—Ta	3.4844 (8)	Ga3—O3^xii	1.822 (8)
Ga1—O3^v	1.993 (8)	Ga3—O3^ii	1.822 (8)
Ga1—O3^vi	1.993 (8)	Ga3—O2^iii	1.878 (8)
Ga1—O3^vii	1.993 (8)	Ga3—O2^xiii	1.878 (8)
Ga1—O3	1.993 (8)	O1—Ga2^xiv	1.797 (12)
Ga1—O3^viii	1.993 (8)	O1—La^iv	2.593 (4)
Ga1—O3^i	1.993 (8)	O1—La^iii	2.593 (4)
Ga1—La^v	3.4844 (8)	O2—Ga2^iv	1.826 (9)
Ga1—La^vii	3.4844 (8)	O2—Ga3^xv	1.878 (8)
Ta—O3^v	1.993 (8)	O2—La^iv	2.432 (9)
Ta—O3^vi	1.993 (8)	O3—Ga3^iv	1.822 (8)
Ta—O3^vii	1.993 (8)
O3^i—La—O3	67.3 (4)	O3^i—Ga1—La	42.1 (2)
O3^i—La—O2^ii	139.5 (3)	La^v—Ga1—La	120.0
O3—La—O2^ii	107.7 (3)	O3^v—Ga1—La^vii	98.1 (3)
O3^i—La—O2^iii	107.7 (3)	O3^vi—Ga1—La^vii	127.0 (3)
O3—La—O2^iii	139.5 (3)	O3^vii—Ga1—La^vii	42.1 (2)
O2^ii—La—O2^iii	100.5 (4)	O3—Ga1—La^vii	98.1 (3)
O3^i—La—O1^ii	79.2 (2)	O3^viii—Ga1—La^vii	42.1 (2)
O3—La—O1^ii	124.7 (2)	O3^i—Ga1—La^vii	127.0 (3)
O2^ii—La—O1^ii	71.5 (3)	La^v—Ga1—La^vii	120.0
O2^iii—La—O1^ii	91.4 (2)	La—Ga1—La^vii	120.0
O3^i—La—O1	124.7 (2)	O3^v—Ta—O3^vi	84.2 (5)
O3—La—O1	79.2 (2)	O3^v—Ta—O3^vii	106.1 (6)
O2^ii—La—O1	91.4 (2)	O3^vi—Ta—O3^vii	86.1 (3)
O2^iii—La—O1	71.5 (3)	O3^v—Ta—O3	163.8 (6)
O1^ii—La—O1	153.50 (6)	O3^vi—Ta—O3	86.1 (3)
O3^i—La—O2	66.2 (3)	O3^vii—Ta—O3	86.1 (3)
O3—La—O2	79.2 (3)	O3^v—Ta—O3^viii	86.1 (3)
O2^ii—La—O2	154.31 (14)	O3^vi—Ta—O3^viii	163.8 (6)
O2^iii—La—O2	63.4 (4)	O3^vii—Ta—O3^viii	84.2 (5)
O1^ii—La—O2	125.7 (3)	O3—Ta—O3^viii	106.1 (6)
O1—La—O2	65.1 (2)	O3^v—Ta—O3^i	86.1 (3)
O3^i—La—O2^i	79.2 (3)	O3^vi—Ta—O3^i	106.1 (6)
O3—La—O2^i	66.2 (3)	O3^vii—Ta—O3^i	163.8 (6)
O2^ii—La—O2^i	63.4 (4)	O3—Ta—O3^i	84.2 (5)
O2^iii—La—O2^i	154.31 (14)	O3^viii—Ta—O3^i	86.1 (3)
O1^ii—La—O2^i	65.1 (2)	O3^v—Ta—La^v	42.1 (2)
O1—La—O2^i	125.7 (3)	O3^vi—Ta—La^v	42.1 (2)
O2—La—O2^i	138.4 (3)	O3^vii—Ta—La^v	98.1 (3)
O3^i—La—Ga2	110.5 (2)	O3—Ta—La^v	127.0 (3)
O3—La—Ga2	86.5 (2)	O3^viii—Ta—La^v	127.0 (3)
O2^ii—La—Ga2	31.1 (2)	O3^i—Ta—La^v	98.1 (3)
O2^iii—La—Ga2	129.3 (2)	O3^v—Ta—La	127.0 (3)
O1^ii—La—Ga2	65.1 (2)	O3^vi—Ta—La	98.1 (3)
O1—La—Ga2	109.9 (2)	O3^vii—Ta—La	127.0 (3)
O2—La—Ga2	165.54 (17)	O3—Ta—La	42.1 (2)
O2^i—La—Ga2	32.38 (17)	O3^viii—Ta—La	98.1 (3)
O3^i—La—Ga2^iv	86.5 (2)	O3^i—Ta—La	42.1 (2)
O3—La—Ga2^iv	110.5 (2)	La^v—Ta—La	120.0
O2^ii—La—Ga2^iv	129.3 (2)	O3^v—Ta—La^vii	98.1 (3)
O2^iii—La—Ga2^iv	31.1 (2)	O3^vi—Ta—La^vii	127.0 (3)
O1^ii—La—Ga2^iv	109.9 (2)	O3^vii—Ta—La^vii	42.1 (2)
O1—La—Ga2^iv	65.1 (2)	O3—Ta—La^vii	98.1 (3)
O2—La—Ga2^iv	32.38 (17)	O3^viii—Ta—La^vii	42.1 (2)
O2^i—La—Ga2^iv	165.54 (17)	O3^i—Ta—La^vii	127.0 (3)
Ga2—La—Ga2^iv	159.92 (3)	La^v—Ta—La^vii	120.0
O3^i—La—Ga1	33.66 (18)	La—Ta—La^vii	120.0
O3—La—Ga1	33.66 (18)	O1^ix—Ga2—O2^x	117.7 (3)
O2^ii—La—Ga1	129.7 (2)	O1^ix—Ga2—O2^ii	117.7 (3)
O2^iii—La—Ga1	129.7 (2)	O2^x—Ga2—O2^ii	100.2 (3)
O1^ii—La—Ga1	103.25 (3)	O1^ix—Ga2—O2^i	117.7 (3)
O1—La—Ga1	103.25 (3)	O2^x—Ga2—O2^i	100.2 (3)
O2—La—Ga1	69.21 (17)	O2^ii—Ga2—O2^i	100.2 (3)
O2^i—La—Ga1	69.21 (17)	O1^ix—Ga2—La^xi	134.58 (2)
Ga2—La—Ga1	100.041 (15)	O2^x—Ga2—La^xi	56.8 (3)
Ga2^iv—La—Ga1	100.042 (15)	O2^ii—Ga2—La^xi	107.3 (3)
O3^i—La—Ta	33.66 (18)	O2^i—Ga2—La^xi	43.4 (3)
O3—La—Ta	33.66 (18)	O1^ix—Ga2—La	134.58 (2)
O2^ii—La—Ta	129.7 (2)	O2^x—Ga2—La	107.3 (3)
O2^iii—La—Ta	129.7 (2)	O2^ii—Ga2—La	43.4 (3)
O1^ii—La—Ta	103.25 (3)	O2^i—Ga2—La	56.8 (3)
O1—La—Ta	103.25 (3)	La^xi—Ga2—La	76.18 (4)
O2—La—Ta	69.21 (17)	O1^ix—Ga2—La^ii	134.58 (2)
O2^i—La—Ta	69.21 (17)	O2^x—Ga2—La^ii	43.4 (3)
Ga2—La—Ta	100.041 (15)	O2^ii—Ga2—La^ii	56.8 (3)
Ga2^iv—La—Ta	100.042 (15)	O2^i—Ga2—La^ii	107.3 (3)
Ga1—La—Ta	0.0	La^xi—Ga2—La^ii	76.18 (4)
O3^v—Ga1—O3^vi	84.2 (5)	La—Ga2—La^ii	76.18 (4)
O3^v—Ga1—O3^vii	106.1 (6)	O3^xii—Ga3—O3^ii	132.6 (6)
O3^vi—Ga1—O3^vii	86.1 (3)	O3^xii—Ga3—O2^iii	109.2 (4)
O3^v—Ga1—O3	163.8 (6)	O3^ii—Ga3—O2^iii	100.3 (4)
O3^vi—Ga1—O3	86.1 (3)	O3^xii—Ga3—O2^xiii	100.3 (4)
O3^vii—Ga1—O3	86.1 (3)	O3^ii—Ga3—O2^xiii	109.3 (4)
O3^v—Ga1—O3^viii	86.1 (3)	O2^iii—Ga3—O2^xiii	101.5 (6)
O3^vi—Ga1—O3^viii	163.8 (6)	Ga2^xiv—O1—La^iv	110.5 (2)
O3^vii—Ga1—O3^viii	84.2 (5)	Ga2^xiv—O1—La	110.5 (2)
O3—Ga1—O3^viii	106.1 (6)	La^iv—O1—La	108.4 (2)
O3^v—Ga1—O3^i	86.1 (3)	Ga2^xiv—O1—La^iii	110.5 (2)
O3^vi—Ga1—O3^i	106.1 (6)	La^iv—O1—La^iii	108.4 (2)
O3^vii—Ga1—O3^i	163.8 (6)	La—O1—La^iii	108.4 (2)
O3—Ga1—O3^i	84.2 (5)	Ga2^iv—O2—Ga3^xv	119.0 (5)
O3^viii—Ga1—O3^i	86.1 (3)	Ga2^iv—O2—La^iv	105.5 (4)
O3^v—Ga1—La^v	42.1 (2)	Ga3^xv—O2—La^iv	120.1 (4)
O3^vi—Ga1—La^v	42.1 (2)	Ga2^iv—O2—La	90.8 (3)
O3^vii—Ga1—La^v	98.1 (3)	Ga3^xv—O2—La	111.7 (4)
O3—Ga1—La^v	127.0 (3)	La^iv—O2—La	105.2 (3)
O3^viii—Ga1—La^v	127.0 (3)	Ga3^iv—O3—Ta	113.8 (5)
O3^i—Ga1—La^v	98.1 (3)	Ga3^iv—O3—Ga1	113.8 (5)
O3^v—Ga1—La	127.0 (3)	Ta—O3—Ga1	0.0
O3^vi—Ga1—La	98.1 (3)	Ga3^iv—O3—La	137.9 (4)
O3^vii—Ga1—La	127.0 (3)	Ta—O3—La	104.3 (3)
O3—Ga1—La	42.1 (2)	Ga1—O3—La	104.3 (3)
O3^viii—Ga1—La	98.1 (3)

Symmetry codes: (i) x−y, −y, −z; (ii) y−1, x, −z; (iii) −x+y−1, −x, z; (iv) y, x+1, −z; (v) y, x, −z; (vi) −y, x−y, z; (vii) −x+y, −x, z; (viii) −x, −x+y, −z; (ix) y−1, x, −z+1; (x) −x−1, −x+y−1, −z; (xi) −x+y−1, −x−1, z; (xii) −x+y−1, −x, z−1; (xiii) y−1, x, −z−1; (xiv) y, x+1, −z+1; (xv) y, x+1, −z−1.

(4.5d3)

Crystal data

Ga5.50La3Nb0.50O14	V = 291.7 Å^3
Mr = 1070.65	Z = 1
?, ?	F(000) = 474
a = 8.135 Å	Dx = 6.094 Mg m^−3
b = 8.135 Å	? radiation, λ = 0.65030 Å
c = 5.090 Å	µ = 23.76 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.000
Graphite monochromator	θmax = 25.0°, θmin = 3.7°
344 measured reflections	h = −10→10
344 independent reflections	k = −7→6
344 reflections with I > 2σ(I)	l = −6→5

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.090P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.033	(Δ/σ)max < 0.001
wR(F^2) = 0.089	Δρmax = 1.45 e Å^−3
S = 0.91	Δρmin = −1.72 e Å^−3
344 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
30 parameters	Extinction coefficient: 0.195 (16)
0 restraints	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: −0.06 (5)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La	−0.42700 (11)	0.0000	0.0000	0.0087 (6)
Ga1	0.0000	0.0000	0.0000	0.0091 (8)	0.50
Ga2	−0.6667	−0.3333	0.4695 (3)	0.0080 (7)
Ga3	0.0000	0.2356 (2)	−0.5000	0.0111 (7)
Nb	0.0000	0.0000	0.0000	0.0091 (8)	0.50
O1	−0.3333	0.3333	0.179 (2)	0.009 (3)*
O2	−0.4570 (13)	−0.3093 (12)	0.3052 (13)	0.0139 (18)*
O3	−0.2205 (10)	−0.0735 (11)	−0.2387 (14)	0.0153 (17)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La	0.0100 (7)	0.0075 (7)	0.0078 (7)	0.0037 (4)	−0.00014 (14)	−0.0003 (3)
Ga1	0.0099 (10)	0.0099 (10)	0.0076 (11)	0.0049 (5)	0.000	0.000
Ga2	0.0097 (9)	0.0097 (9)	0.0044 (9)	0.0049 (4)	0.000	0.000
Ga3	0.0128 (10)	0.0095 (8)	0.0121 (9)	0.0064 (5)	−0.0067 (6)	−0.0033 (3)
Nb	0.0099 (10)	0.0099 (10)	0.0076 (11)	0.0049 (5)	0.000	0.000

Bond lengths (Å)

La—O3^i	2.379 (8)	O2—O3^xiii	3.013 (10)
La—O3	2.379 (8)	O2—O1^x	3.085 (12)
La—O2^ii	2.425 (8)	O2—O3	3.370 (9)
La—O2^iii	2.425 (8)	O2—O1^xlv	3.579 (9)
La—O1	2.587 (4)	O2—Ga2^xliv	3.702 (8)
La—O1^iv	2.587 (4)	O2—O2^viii	3.740 (15)
La—O2^i	2.862 (7)	O2—O3^xlvi	3.868 (12)
La—O2	2.862 (7)	O2—La^xii	3.997 (6)
La—Ga2	3.4027 (11)	O2—Ga3^xiii	4.239 (9)
La—Ga2^v	3.4028 (11)	O2—Ga3^xlvii	4.225 (8)
La—Ga1	3.4737 (9)	O2—O3^xii	4.252 (11)
La—Nb	3.4737 (9)	O2—La^xiii	4.276 (8)
Ga1—O3^vi	1.994 (7)	O2—La^iv	4.314 (9)
Ga1—O3^vii	1.994 (7)	O2—Ga3^vi	4.396 (7)
Ga1—O3^viii	1.994 (7)	O2—Ga3^iv	4.456 (9)
Ga1—O3	1.994 (7)	O2—O3^xi	4.512 (11)
Ga1—O3^i	1.994 (7)	O2—O3^xx	4.479 (11)
Ga1—O3^ix	1.994 (7)	O2—Ga2^xviii	4.551 (7)
Ga1—La^viii	3.4736 (9)	O2—La^viii	4.551 (8)
Ga1—La^ix	3.4737 (9)	O2—O2^xlviii	4.565 (6)
Ga1—O2^vi	3.635 (8)	O2—O2^xxiv	4.566 (6)
Ga1—O2^vii	3.635 (8)	O2—O3^vi	4.726 (10)
Ga1—O2^viii	3.635 (8)	O2—O2^xxiii	4.788 (17)
Ga2—O1^x	1.791 (11)	O2—Ga1^xiii	4.827 (8)
Ga2—O2^xi	1.820 (8)	O2—Nb^xiii	4.827 (8)
Ga2—O2	1.820 (8)	O2—O3^vii	4.879 (12)
Ga2—O2^ii	1.820 (8)	O2—Ga2^xxi	4.939 (8)
Ga2—O1^iv	3.299 (11)	O2—Ga3^viii	4.988 (9)
Ga2—La^xi	3.4027 (11)	O2—Ga3^xlix	4.976 (8)
Ga2—La^iv	3.4028 (11)	O2—O2^xviii	5.0900
Ga2—O3^xii	3.490 (7)	O2—O2^xiii	5.0900
Ga2—O3^xiii	3.490 (7)	O2—O2^xlvi	5.154 (9)
Ga2—O3^xiv	3.490 (7)	O2—O2^iii	5.154 (9)
Ga2—La^xii	3.6275 (11)	O2—O3^xiv	5.173 (11)
Ga3—O3^ix	1.833 (8)	O2—O3^xxxiv	5.189 (12)
Ga3—O3^xv	1.833 (8)	O2—O2^l	5.263 (9)
Ga3—O2^xvi	1.873 (9)	O2—O2^li	5.263 (9)
Ga3—O2^i	1.873 (9)	O2—Ga2^viii	5.286 (8)
Ga3—O3	2.607 (7)	O2—O2^i	5.352 (14)
Ga3—O3^xvii	2.607 (7)	O2—O3^ii	5.389 (11)
Ga3—Nb^xviii	3.1859 (11)	O2—O3^lii	5.352 (11)
Ga3—Nb	3.1859 (11)	O2—La^x	5.358 (8)
Ga3—O1^v	3.580 (5)	O2—Nb^liii	5.355 (9)
Ga3—O1^xviii	3.580 (5)	O2—Ga1^liii	5.355 (9)
Ga3—O3^vi	3.697 (7)	O2—O3^ix	5.404 (11)
Ga3—O3^xix	3.698 (7)	O2—O3^iv	5.423 (12)
Nb—O3^vi	1.994 (7)	O2—O3^iii	5.524 (12)
Nb—O3^vii	1.994 (7)	O2—O3^xliv	5.530 (11)
Nb—O3^viii	1.994 (7)	O2—O3^xxiii	5.548 (12)
Nb—O3	1.994 (7)	O2—La^xliv	5.550 (8)
Nb—O3^i	1.994 (7)	O2—O1^liv	5.670 (11)
Nb—O3^ix	1.994 (7)	O2—O2^vi	5.692 (15)
Nb—Ga3^viii	3.1859 (11)	O2—O2^ix	5.692 (15)
Nb—Ga3^xix	3.1859 (11)	O2—O2^lv	5.781 (11)
Nb—Ga3^vi	3.1859 (11)	O2—O2^lii	5.781 (11)
Nb—Ga3^xx	3.1859 (11)	O2—O2^lvi	5.809 (7)
Nb—Ga3^xiii	3.1859 (11)	O2—O2^xii	5.809 (7)
O1—Ga2^xxi	1.791 (11)	O2—O2^xxxvii	5.809 (7)
O1—La^v	2.587 (4)	O2—O2^xiv	5.809 (7)
O1—La^xxii	2.587 (4)	O2—La^xlv	5.951 (8)
O1—O2^i	2.946 (13)	O2—O3^xlviii	6.117 (11)
O1—O2^iii	2.946 (13)	O2—O3^xix	6.121 (11)
O1—O2^v	2.946 (13)	O2—O2^lvii	6.097 (14)
O1—O2^xxiii	3.085 (12)	O2—O2^lviii	6.097 (14)
O1—O2^xxiv	3.085 (12)	O2—O3^xv	6.138 (10)
O1—O2^xxi	3.085 (12)	O2—O1^liii	6.242 (9)
O1—O3^i	3.173 (7)	O2—O3^lix	6.355 (10)
O1—O3^v	3.173 (7)	O3—Ga3^vi	1.833 (8)
O1—O3^iii	3.173 (7)	O3—O3^i	2.641 (15)
O1—Ga2^v	3.299 (11)	O3—O3^vi	2.739 (12)
O1—Ga3^xiii	3.580 (5)	O3—O3^ix	2.739 (12)
O1—Ga3^iv	3.580 (5)	O3—O2^viii	2.849 (13)
O1—Ga3^xxv	3.580 (5)	O3—O2^i	2.884 (10)
O1—O2^ix	3.579 (9)	O3—O3^xv	2.855 (14)
O1—O2^ii	3.579 (9)	O3—O2^xviii	3.013 (10)
O1—O2^xxvi	3.579 (9)	O3—O1^iv	3.173 (7)
O1—O3	4.399 (9)	O3—O3^viii	3.192 (14)
O1—O3^xxvii	4.399 (10)	O3—O3^xix	3.371 (15)
O1—O3^xxii	4.399 (10)	O3—Ga2^xviii	3.490 (7)
O1—Ga3^xxviii	4.698 (8)	O3—Ga3^xix	3.698 (7)
O1—Ga3^xxvii	4.698 (8)	O3—La^xi	3.816 (8)
O1—Ga1^xxix	4.784 (2)	O3—O2^iii	3.868 (12)
O1—Nb^xxix	4.784 (2)	O3—Ga3^xx	3.966 (7)
O1—Ga1^xxvi	4.784 (2)	O3—O3^vii	3.944 (14)
O1—Nb^xxvi	4.784 (2)	O3—Ga2^v	4.027 (8)
O1—O2^xxvii	4.847 (8)	O3—O3^xvii	4.090 (14)
O1—O2	4.847 (8)	O3—Ga1^xviii	4.185 (7)
O1—O2^xxii	4.847 (8)	O3—Nb^xviii	4.185 (7)
O1—La^xiii	4.832 (10)	O3—La^viii	4.257 (8)
O1—La^xxi	4.832 (10)	O3—O2^xxxvii	4.252 (11)
O1—La^xxx	4.832 (10)	O3—Ga3^xiii	4.378 (7)
O1—O3^xiii	4.861 (10)	O3—La^xviii	4.382 (7)
O1—O3^xxv	4.861 (10)	O3—O2^ii	4.512 (11)
O1—O3^xxx	4.861 (10)	O3—O2^xvi	4.479 (11)
O1—O3^ix	4.920 (9)	O3—Ga2^viii	4.591 (8)
O1—O3^ii	4.920 (9)	O3—O2^ix	4.726 (10)
O1—O3^xxvi	4.920 (9)	O3—La^v	4.788 (8)
O1—Ga2^xxxi	4.925 (3)	O3—O1^xviii	4.861 (10)
O1—Ga2^xxvi	4.925 (3)	O3—O2^vii	4.879 (12)
O1—O1^iv	5.036 (8)	O3—O1^xlv	4.920 (9)
O1—O1^v	5.036 (8)	O3—Ga3^xxviii	4.935 (7)
O1—O1^xxxii	5.036 (8)	O3—La^ix	4.935 (7)
O1—O1^xviii	5.0900	O3—O3^xviii	5.0900
O1—O1^xiii	5.0900	O3—O3^xiii	5.0900
O1—Ga3^xx	5.330 (3)	O3—Ga3^viii	5.103 (7)
O1—Ga3^v	5.330 (3)	O3—O2^lvi	5.173 (11)
O1—Ga3^xxxiii	5.330 (3)	O3—O2^lx	5.189 (12)
O1—O3^xxxiv	5.338 (10)	O3—La^lvi	5.301 (8)
O1—O3^xiv	5.338 (10)	O3—O1^lxi	5.338 (10)
O1—O3^xxxv	5.338 (10)	O3—O2^xi	5.389 (11)
O1—O3^vii	5.433 (8)	O3—O2^lv	5.352 (11)
O1—O3^iv	5.433 (8)	O3—O2^vi	5.404 (11)
O1—O3^xxxvi	5.433 (8)	O3—O2^v	5.423 (12)
O1—O2^xvi	5.670 (11)	O3—O3^xi	5.469 (12)
O1—O2^xxxvii	5.670 (11)	O3—O3^ii	5.469 (12)
O1—O2^xxxviii	5.670 (11)	O3—O1^v	5.433 (8)
O1—O1^xxi	5.724 (13)	O3—Ga2^xxi	5.492 (8)
O1—O1^x	5.724 (13)	O3—O2^xlvi	5.524 (12)
O1—O1^xxxix	5.724 (13)	O3—O2^xliv	5.530 (11)
O1—O3^xv	5.732 (11)	O3—O2^xxiii	5.548 (12)
O1—O3^xl	5.732 (11)	O3—La^iv	5.633 (7)
O1—O3^xli	5.732 (11)	O3—La^xix	5.627 (8)
O1—O3^viii	5.863 (8)	O3—Ga2^lxii	5.624 (7)
O1—O3^xlii	5.863 (8)	O3—O1^xxviii	5.732 (11)
O1—O3^xliii	5.863 (8)	O3—O3^lx	5.780 (6)
O1—La^ix	5.9120 (18)	O3—O3^xx	5.780 (6)
O1—La^iv	5.9120 (18)	O3—O3^xvi	5.780 (6)
O1—La^xxvi	5.9121 (18)	O3—O3^xxxiv	5.780 (6)
O1—O3^xxiii	6.252 (12)	O3—O1^viii	5.863 (8)
O1—O3^xxi	6.252 (12)	O3—La^xli	6.038 (7)
O1—O3^xxiv	6.252 (12)	O3—O2^xxiv	6.117 (11)
O1—O2^xxxi	6.242 (9)	O3—O2^xix	6.121 (11)
O2—Ga3^xx	1.873 (9)	O3—O3^xlvi	6.161 (11)
O2—La^xi	2.425 (8)	O3—O3^iii	6.161 (11)
O2—O2^xi	2.800 (15)	O3—O2^xv	6.138 (10)
O2—O2^ii	2.800 (15)	O3—La^xxii	6.161 (8)
O2—O3^viii	2.849 (13)	O3—La^xvi	6.156 (7)
O2—O3^i	2.884 (10)	O3—O1^x	6.252 (12)
O2—O2^xliv	2.875 (15)	O3—O3^lxiii	6.256 (11)
O2—O1^iv	2.946 (13)	O3—O3^xl	6.256 (11)

Symmetry codes: (i) x−y, −y, −z; (ii) −y−1, x−y, z; (iii) −x−1, −x+y, −z; (iv) y−1, x, −z; (v) y, x+1, −z; (vi) −y, x−y, z; (vii) −x, −x+y, −z; (viii) y, x, −z; (ix) −x+y, −x, z; (x) y−1, x, −z+1; (xi) −x+y−1, −x−1, z; (xii) −x+y−1, −x−1, z+1; (xiii) x, y, z+1; (xiv) −y−1, x−y, z+1; (xv) x−y, −y, −z−1; (xvi) −x+y, −x, z−1; (xvii) −x, −x+y, −z−1; (xviii) x, y, z−1; (xix) y, x, −z−1; (xx) −y, x−y, z+1; (xxi) y, x+1, −z+1; (xxii) −x+y−1, −x, z; (xxiii) x−y, −y, −z+1; (xxiv) −x−1, −x+y, −z+1; (xxv) −y, x−y+1, z+1; (xxvi) x, y+1, z; (xxvii) −y, x−y+1, z; (xxviii) y−1, x, −z−1; (xxix) x−1, y, z; (xxx) −x+y−1, −x, z+1; (xxxi) x+1, y+1, z; (xxxii) y−1, x+1, −z; (xxxiii) x−1, y, z+1; (xxxiv) −x+y, −x, z+1; (xxxv) x, y+1, z+1; (xxxvi) x−y, −y+1, −z; (xxxvii) −y−1, x−y, z−1; (xxxviii) x, y+1, z−1; (xxxix) y−1, x+1, −z+1; (xl) −x−1, −x+y, −z−1; (xli) y, x+1, −z−1; (xlii) −x, −x+y+1, −z; (xliii) x−y−1, −y, −z; (xliv) y, x, −z+1; (xlv) x, y−1, z; (xlvi) −x−1, −x+y−1, −z; (xlvii) x−1, y−1, z+1; (xlviii) −x−1, −x+y−1, −z+1; (xlix) y−1, x−1, −z; (l) x−y, −y−1, −z+1; (li) x−y−1, −y−1, −z+1; (lii) x−y−1, −y−1, −z; (liii) x−1, y−1, z; (liv) x, y−1, z+1; (lv) x−y, −y−1, −z; (lvi) −x+y−1, −x−1, z−1; (lvii) −y−1, x−y−1, z; (lviii) −x+y, −x−1, z; (lix) −y−1, x−y−1, z+1; (lx) −y, x−y, z−1; (lxi) x, y−1, z−1; (lxii) x+1, y+1, z−1; (lxiii) −x−1, −x+y−1, −z−1.

(4.8d3)

Crystal data

Ga5.50La3Nb0.50O14	V = 290.7 Å^3
Mr = 1070.65	Z = 1
?, ?	F(000) = 474
a = 8.126 Å	Dx = 6.116 Mg m^−3
b = 8.126 Å	Ag Kα radiation, λ = 0.56000 Å
c = 5.083 Å	µ = 13.89 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.000
Graphite monochromator	θmax = 37.0°, θmin = 2.3°
759 measured reflections	h = −12→12
759 independent reflections	k = −6→6
759 reflections with I > 2σ(I)	l = −8→8

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.044	(Δ/σ)max < 0.001
wR(F^2) = 0.132	Δρmax = 2.30 e Å^−3
S = 1.08	Δρmin = −2.48 e Å^−3
759 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
39 parameters	Extinction coefficient: 0.022 (6)
0 restraints	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.05 (7)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La	−0.42746 (10)	0.0000	0.0000	0.00876 (17)
Ga1	0.0000	0.0000	0.0000	0.0087 (4)	0.50
Ga2	−0.6667	−0.3333	0.4693 (4)	0.0082 (3)
Ga3	−0.76376 (19)	0.0000	−0.5000	0.0100 (3)
Nb	0.0000	0.0000	0.0000	0.0087 (4)	0.50
O1	−0.3333	0.3333	0.182 (3)	0.012 (2)
O2	−0.1453 (13)	0.3089 (14)	−0.3023 (18)	0.0178 (16)
O3	−0.7799 (11)	0.1451 (12)	0.2398 (19)	0.0187 (18)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La	0.0094 (2)	0.0069 (3)	0.0091 (3)	0.00346 (13)	−0.00059 (12)	−0.0012 (2)
Ga1	0.0099 (5)	0.0099 (5)	0.0064 (10)	0.0050 (3)	0.000	0.000
Ga2	0.0087 (4)	0.0087 (4)	0.0073 (8)	0.0043 (2)	0.000	0.000
Ga3	0.0083 (4)	0.0113 (6)	0.0114 (7)	0.0056 (3)	0.0029 (3)	0.0058 (5)
Nb	0.0099 (5)	0.0099 (5)	0.0064 (10)	0.0050 (3)	0.000	0.000
O1	0.011 (3)	0.011 (3)	0.012 (6)	0.0056 (15)	0.000	0.000
O2	0.022 (4)	0.026 (4)	0.013 (4)	0.018 (4)	−0.004 (3)	−0.007 (3)
O3	0.015 (3)	0.015 (3)	0.019 (4)	0.002 (2)	−0.013 (3)	0.002 (3)

Bond lengths (Å)

La—O3^i	2.392 (9)	O2—O1^xvi	3.090 (15)
La—O3^ii	2.392 (9)	O2—O3^ii	3.348 (14)
La—O2^iii	2.411 (9)	O2—O1^vi	3.556 (10)
La—O2^iv	2.411 (9)	O2—Ga2^xlvii	3.690 (9)
La—O1	2.590 (5)	O2—O2^xxx	3.691 (18)
La—O1^iii	2.590 (5)	O2—O3^xxxii	3.879 (12)
La—O2^v	2.857 (10)	O2—La^xxv	4.004 (10)
La—O2	2.857 (10)	O2—Ga3^iv	4.237 (9)
La—Ga2	3.3971 (14)	O2—Ga3^viii	4.231 (9)
La—Ga2^vi	3.3971 (14)	O2—O3^xlv	4.267 (12)
La—Ga1	3.4736 (8)	O2—La^xvi	4.287 (9)
La—Nb	3.4736 (8)	O2—La^iv	4.323 (8)
Ga1—O3^vii	1.991 (8)	O2—Ga3^vi	4.367 (9)
Ga1—O3^viii	1.991 (8)	O2—O3^xlviii	4.467 (13)
Ga1—O3^ix	1.991 (8)	O2—O3^iv	4.515 (13)
Ga1—O3^vi	1.991 (8)	O2—La^xi	4.524 (8)
Ga1—O3^i	1.992 (8)	O2—Ga2^xxvi	4.539 (10)
Ga1—O3^ii	1.992 (8)	O2—O2^xvii	4.579 (9)
Ga1—La^x	3.4736 (8)	O2—O2^xxv	4.579 (9)
Ga1—La^xi	3.4736 (8)	O2—O3^ix	4.704 (12)
Ga1—O2^x	3.608 (9)	O2—O2^xlix	4.790 (19)
Ga1—O2^xi	3.608 (9)	O2—Nb^xvi	4.820 (9)
Ga1—O2	3.608 (9)	O2—Ga1^xvi	4.820 (9)
Ga2—O1^xii	1.773 (15)	O2—O1^iii	4.842 (10)
Ga2—O2^v	1.844 (8)	O2—O3^vii	4.849 (11)
Ga2—O2^i	1.844 (8)	O2—Ga2^xvi	4.942 (10)
Ga2—O2^iii	1.844 (8)	O2—Ga3^xxxvii	4.975 (10)
Ga2—O1^iii	3.310 (15)	O2—Ga3^ix	4.970 (8)
Ga2—La^viii	3.3971 (14)	O2—O2^xxvii	5.0830
Ga2—La^iii	3.3971 (14)	O2—O2^xvi	5.0830
Ga2—O3^xii	3.485 (8)	O2—O2^iii	5.135 (11)
Ga2—O3^xiii	3.485 (8)	O2—O2^vi	5.135 (11)
Ga2—O3^xiv	3.485 (8)	O2—O3^xvi	5.189 (11)
Ga2—La^xv	3.6231 (15)	O2—O3^l	5.165 (12)
Ga3—O3^v	1.820 (9)	O2—Ga2^xxxvii	5.259 (9)
Ga3—O3^xvi	1.820 (9)	O2—O2^li	5.271 (13)
Ga3—O2^xvii	1.857 (9)	O2—O2^xliii	5.271 (13)
Ga3—O2^iv	1.857 (9)	O2—O2^v	5.32 (2)
Ga3—O3^xviii	2.611 (10)	O2—O3^xxxiv	5.346 (13)
Ga3—O3^xix	2.611 (10)	O2—Ga1^xxxiii	5.354 (9)
Ga3—Nb^xx	3.1851 (9)	O2—Nb^xxxiii	5.354 (9)
Ga3—Nb^xxi	3.1851 (9)	O2—La^xlv	5.376 (9)
Ga3—O1^xvi	3.565 (7)	O2—O3	5.394 (13)
Ga3—O1^iii	3.565 (7)	O2—O3^viii	5.371 (12)
Ga3—O3^xxii	3.689 (9)	O2—O3^xix	5.450 (13)
Ga3—O3^xxiii	3.689 (9)	O2—O3^v	5.522 (13)
Nb—O3^vii	1.991 (8)	O2—O3^xxv	5.523 (14)
Nb—O3^viii	1.991 (8)	O2—La^lii	5.539 (9)
Nb—O3^ix	1.991 (8)	O2—O3^liii	5.560 (12)
Nb—O3^vi	1.991 (8)	O2—O1^xxv	5.680 (15)
Nb—O3^i	1.992 (8)	O2—O2^liv	5.654 (15)
Nb—O3^ii	1.992 (8)	O2—O2^xi	5.654 (15)
Nb—Ga3^xxiv	3.1850 (9)	O2—O2^xxxii	5.761 (13)
Nb—Ga3^ix	3.1850 (9)	O2—O2^xxxi	5.761 (13)
Nb—Ga3^viii	3.1850 (9)	O2—O2^xlv	5.820 (7)
Nb—Ga3^xv	3.1850 (9)	O2—O2^xxviii	5.820 (7)
Nb—Ga3^vi	3.1850 (9)	O2—O2^xxix	5.820 (7)
Nb—Ga3^xxv	3.1850 (9)	O2—O2^xliv	5.820 (7)
O1—Ga2^xxvi	1.773 (15)	O2—La^xxxvii	5.930 (9)
O1—La^vi	2.590 (5)	O2—O2^lv	6.067 (16)
O1—La^iv	2.590 (5)	O2—O2^lvi	6.067 (16)
O1—O2^iv	2.956 (15)	O2—O3^xxvi	6.079 (13)
O1—O2	2.956 (15)	O2—O3^li	6.136 (13)
O1—O2^ii	2.956 (15)	O2—O3^xiii	6.113 (14)
O1—O2^xxvii	3.090 (15)	O2—O1^xix	6.253 (8)
O1—O2^xxviii	3.090 (15)	O2—O3^xlvii	6.343 (14)
O1—O2^xxix	3.090 (15)	O3—Ga3^xxvii	1.820 (9)
O1—O3^ii	3.169 (8)	O3—Nb^xxi	1.991 (8)
O1—O3^iv	3.169 (8)	O3—Ga1^xxi	1.991 (8)
O1—O3	3.169 (8)	O3—La^iv	2.392 (9)
O1—Ga2^vi	3.310 (15)	O3—Ga3^xix	2.611 (10)
O1—O2^xxx	3.556 (10)	O3—O3^xix	2.656 (18)
O1—O2^iii	3.556 (10)	O3—O3^xl	2.728 (14)
O1—O2^xxxi	3.556 (10)	O3—O3^xlvi	2.728 (14)
O1—Ga3^vi	3.565 (7)	O3—O2^iii	2.810 (13)
O1—Ga3^xxvii	3.565 (7)	O3—O3^xxxvi	2.85 (2)
O1—Ga3^xxviii	3.565 (7)	O3—O2^xxxiv	2.881 (14)
O1—O3^i	4.416 (11)	O3—O2^xxviii	3.006 (13)
O1—O3^xxxii	4.416 (11)	O3—O3^v	3.181 (19)
O1—O3^xix	4.416 (11)	O3—O2^iv	3.348 (14)
O1—Ga3^xxv	4.702 (11)	O3—O3^xiv	3.342 (18)
O1—Ga3^iv	4.702 (11)	O3—Ga2^xxvi	3.485 (8)
O1—Ga1^xxi	4.782 (3)	O3—Ga3^lvii	3.689 (9)
O1—Nb^xxi	4.782 (3)	O3—O2^xxxi	3.879 (12)
O1—Ga1^xxxiii	4.782 (3)	O3—O3^xxii	3.942 (16)
O1—Nb^xxxiii	4.782 (3)	O3—Ga2^xxxiii	4.033 (10)
O1—La^xxvii	4.810 (13)	O3—O3^lviii	4.073 (19)
O1—La^xxvi	4.810 (13)	O3—Nb^lix	4.173 (10)
O1—La^xxviii	4.810 (13)	O3—Ga1^lix	4.173 (10)
O1—O2^v	4.842 (10)	O3—La^iii	4.244 (9)
O1—O2^vi	4.842 (10)	O3—O2^xxix	4.267 (12)
O1—O2^xxxiv	4.842 (10)	O3—Ga3^lx	4.383 (9)
O1—O3^xiii	4.852 (14)	O3—La^xxviii	4.378 (10)
O1—O3^xxxv	4.852 (14)	O3—O1^xix	4.416 (11)
O1—O3^xxxvi	4.852 (14)	O3—O2^lix	4.467 (13)
O1—O3^vi	4.913 (13)	O3—O2^ii	4.515 (13)
O1—O3^v	4.913 (13)	O3—O2^xxi	4.704 (12)
O1—O3^xxxiv	4.913 (13)	O3—Ga2^vi	4.791 (10)
O1—Ga2^xxxvii	4.914 (4)	O3—La^xix	4.791 (9)
O1—Ga2^xxxiii	4.914 (4)	O3—O2^lxi	4.850 (11)
O1—O1^iii	5.043 (11)	O3—O1^xxxvi	4.852 (14)
O1—O1^vi	5.043 (11)	O3—O1^iii	4.913 (13)
O1—O1^xix	5.043 (11)	O3—Ga3^xxviii	4.932 (8)
O1—O1^xvi	5.0830	O3—La^xxi	4.935 (8)
O1—O1^xxvii	5.0830	O3—O3^xxvii	5.0830
O1—O3^xxvi	5.309 (11)	O3—O3^xvi	5.0830
O1—O3^xiv	5.309 (11)	O3—Ga3^xl	5.099 (9)
O1—O3^xxxviii	5.309 (11)	O3—O2^xxvii	5.189 (11)
O1—Ga3^xv	5.321 (4)	O3—O2^lxii	5.165 (12)
O1—Ga3^xxxix	5.321 (4)	O3—La^xxvii	5.282 (8)
O1—Ga3^xix	5.321 (4)	O3—O1^xii	5.309 (11)
O1—O3^ix	5.434 (9)	O3—O2^i	5.346 (13)
O1—O3^xl	5.434 (9)	O3—O2^lxiii	5.372 (12)
O1—O3^xli	5.434 (9)	O3—O1^xxi	5.434 (9)
O1—O2^xlii	5.680 (15)	O3—O2^xix	5.450 (13)
O1—O2^xvii	5.680 (15)	O3—O3^ii	5.466 (14)
O1—O2^xliii	5.680 (15)	O3—O3^iv	5.466 (14)
O1—O3^xliv	5.735 (15)	O3—Ga2^lxiv	5.500 (9)
O1—O3^xvi	5.735 (15)	O3—O2^v	5.521 (13)
O1—O3^xlv	5.735 (15)	O3—O2^xvii	5.523 (14)
O1—O1^xxvi	5.698 (17)	O3—O2^lxv	5.560 (12)
O1—O1^xii	5.698 (17)	O3—La^xii	5.609 (9)
O1—O1^xxxvi	5.698 (17)	O3—La^vi	5.631 (8)
O1—O3^viii	5.845 (8)	O3—Ga2^xxxvi	5.624 (10)
O1—O3^xxxvii	5.845 (8)	O3—O1^xxvii	5.735 (15)
O1—O3^xlvi	5.845 (8)	O3—O3^xviii	5.769 (6)
O1—La^xi	5.910 (2)	O3—O3^lvii	5.769 (6)
O1—La^iii	5.910 (2)	O3—O3^xxiii	5.769 (6)
O1—La^xxxiii	5.910 (2)	O3—O3^lxvi	5.769 (6)
O1—O2^xxxii	6.252 (8)	O3—O1^lxvii	5.845 (8)
O1—O2^i	6.252 (8)	O3—La^xxxvi	6.033 (11)
O1—O2^xix	6.253 (8)	O3—O2^xii	6.079 (13)
O1—O3^xxix	6.235 (16)	O3—O2^xliii	6.136 (13)
O2—Ga2^vi	1.844 (8)	O3—O2^xxxviii	6.113 (14)
O2—Ga3^xxv	1.857 (9)	O3—O3^i	6.162 (14)
O2—La^vi	2.411 (9)	O3—O3^xxxiv	6.162 (14)
O2—O2^iv	2.834 (14)	O3—La^lix	6.148 (10)
O2—O2^ii	2.835 (14)	O3—La^xxxiii	6.168 (9)
O2—O3^vi	2.810 (13)	O3—O1^xvi	6.235 (16)
O2—O2^xlii	2.867 (19)	O3—O3^xiii	6.247 (12)
O2—O3^i	2.881 (14)	O3—O3^xxxviii	6.247 (12)
O2—O3^xliv	3.006 (13)

Symmetry codes: (i) −x−1, −x+y−1, −z; (ii) −y, x−y+1, z; (iii) y−1, x, −z; (iv) −x+y−1, −x, z; (v) x−y, −y, −z; (vi) y, x+1, −z; (vii) x−y+1, −y, −z; (viii) −x+y−1, −x−1, z; (ix) x+1, y, z; (x) y, x, −z; (xi) −x+y, −x, z; (xii) y−1, x, −z+1; (xiii) −x−1, −x+y−1, −z+1; (xiv) x−y, −y, −z+1; (xv) −x+y−1, −x−1, z+1; (xvi) x, y, z−1; (xvii) y−1, x, −z−1; (xviii) −x+y−2, −x−1, z−1; (xix) y−1, x+1, −z; (xx) x−1, y, z−1; (xxi) x−1, y, z; (xxii) −x−2, −x+y−1, −z; (xxiii) −y−1, x−y+1, z−1; (xxiv) x+1, y, z+1; (xxv) y, x+1, −z−1; (xxvi) y, x+1, −z+1; (xxvii) x, y, z+1; (xxviii) −x+y−1, −x, z+1; (xxix) −y, x−y+1, z+1; (xxx) −x, −x+y, −z; (xxxi) x−y, −y+1, −z; (xxxii) x−y+1, −y+1, −z; (xxxiii) x, y+1, z; (xxxiv) −x−1, −x+y, −z; (xxxv) x−y+1, −y+1, −z+1; (xxxvi) y−1, x+1, −z+1; (xxxvii) x+1, y+1, z; (xxxviii) −x−1, −x+y, −z+1; (xxxix) x+1, y+1, z+1; (xl) −x+y−2, −x−1, z; (xli) −y, x−y+2, z; (xlii) −x, −x+y, −z−1; (xliii) x−y, −y+1, −z−1; (xliv) −y, x−y+1, z−1; (xlv) −x+y−1, −x, z−1; (xlvi) −y−1, x−y+1, z; (xlvii) x+1, y+1, z−1; (xlviii) x+1, y, z−1; (xlix) x−y, −y, −z−1; (l) −x+y−1, −x−1, z−1; (li) x−y+1, −y+1, −z−1; (lii) −x+y, −x, z−1; (liii) −x−1, −x+y−1, −z−1; (liv) −y, x−y, z; (lv) −y+1, x−y+1, z; (lvi) −x+y, −x+1, z; (lvii) −x+y−2, −x−1, z+1; (lviii) −x−2, −x+y−1, −z+1; (lix) x−1, y, z+1; (lx) y−1, x+1, −z−1; (lxi) x−y−1, −y, −z; (lxii) −y−1, x−y, z+1; (lxiii) −y−1, x−y, z; (lxiv) x, y+1, z−1; (lxv) −x−1, −x+y, −z−1; (lxvi) −y−1, x−y+1, z+1; (lxvii) x−1, y−1, z.

(5.1cad4)

Crystal data

Ga5.54La3O14Ta0.46	V = 290.1 Å^3
Mr = 1110.22	Z = 1
?, ?	F(000) = 488
a = 8.116 Å	Dx = 6.354 Mg m^−3
b = 8.116 Å	Mo Kα radiation, λ = 0.71073 Å
c = 5.086 Å	µ = 27.83 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.065
Graphite monochromator	θmax = 32.0°, θmin = 2.9°
1737 measured reflections	h = −11→11
438 independent reflections	k = −11→11
437 reflections with I > 2σ(I)	l = −4→4

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.034	(Δ/σ)max < 0.001
wR(F^2) = 0.074	Δρmax = 1.98 e Å^−3
S = 0.72	Δρmin = −1.80 e Å^−3
438 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
39 parameters	Extinction coefficient: 0.155 (10)
0 restraints	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.00 (4)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La	−0.42799 (8)	0.0000	0.0000	0.0179 (3)
Ga1	0.0000	0.0000	0.0000	0.0159 (4)	0.54
Ta	0.0000	0.0000	0.0000	0.0159 (4)	0.46
Ga2	−0.6667	−0.3333	0.4693 (5)	0.0177 (5)
Ga3	−0.76424 (15)	0.0000	−0.5000	0.0194 (4)
O1	−0.3333	0.3333	0.173 (3)	0.020 (3)
O2	−0.5461 (9)	0.1487 (9)	−0.297 (2)	0.027 (2)
O3	−0.7812 (8)	0.1452 (9)	0.2426 (18)	0.028 (2)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La	0.0223 (3)	0.0197 (3)	0.0110 (7)	0.00985 (16)	−0.00049 (11)	−0.0010 (2)
Ga1	0.0212 (4)	0.0212 (4)	0.0054 (12)	0.0106 (2)	0.000	0.000
Ta	0.0212 (4)	0.0212 (4)	0.0054 (12)	0.0106 (2)	0.000	0.000
Ga2	0.0220 (5)	0.0220 (5)	0.0091 (15)	0.0110 (2)	0.000	0.000
Ga3	0.0207 (4)	0.0232 (6)	0.0152 (13)	0.0116 (3)	0.0029 (2)	0.0059 (5)
O1	0.023 (3)	0.023 (3)	0.015 (11)	0.0114 (15)	0.000	0.000
O2	0.023 (3)	0.031 (3)	0.023 (7)	0.011 (3)	−0.004 (3)	0.008 (3)
O3	0.022 (3)	0.024 (3)	0.030 (7)	0.006 (2)	−0.005 (3)	0.003 (3)

Geometric parameters (Å, º)

La—O3^i	2.403 (7)	Ta—Ga3^xii	3.1824 (8)
La—O3^ii	2.403 (7)	Ta—Ga3^vii	3.1824 (8)
La—O2^iii	2.411 (8)	Ta—Ga3^v	3.1825 (8)
La—O2	2.411 (8)	Ta—Ga3^xiii	3.1825 (8)
La—O1^iv	2.569 (5)	Ga2—O1^xiv	1.821 (15)
La—O1	2.569 (5)	Ga2—O2^iv	1.846 (8)
La—O2^ii	2.818 (8)	Ga2—O2^ii	1.846 (8)
La—O2^i	2.818 (8)	Ga2—O2^iii	1.846 (8)
La—Ga2	3.3953 (18)	Ga2—La^vi	3.3953 (18)
La—Ga2^v	3.3953 (18)	Ga2—La^iv	3.3953 (18)
La—Ta	3.4735 (6)	Ga2—La^xi	3.6216 (19)
La—Ga1	3.4735 (6)	Ga2—La^xiv	3.6216 (19)
Ga1—O3^vi	1.993 (7)	Ga2—La^xv	3.6216 (19)
Ga1—O3^ii	1.993 (7)	Ga3—O3^iii	1.812 (8)
Ga1—O3^vii	1.993 (7)	Ga3—O3^xvi	1.812 (8)
Ga1—O3^v	1.993 (7)	Ga3—O2	1.876 (8)
Ga1—O3^viii	1.993 (7)	Ga3—O2^xvii	1.876 (8)
Ga1—O3^i	1.993 (7)	Ga3—Ta^xviii	3.1824 (8)
Ga1—La^ix	3.4735 (6)	Ga3—Ta^xix	3.1824 (8)
Ga1—La^x	3.4735 (6)	O1—Ga2^xx	1.821 (15)
Ta—O3^vi	1.993 (7)	O1—La^v	2.569 (5)
Ta—O3^ii	1.993 (7)	O1—La^xxi	2.569 (5)
Ta—O3^vii	1.993 (7)	O2—Ga2^v	1.846 (8)
Ta—O3^v	1.993 (7)	O2—La^xxi	2.818 (8)
Ta—O3^viii	1.993 (7)	O3—Ga3^xv	1.812 (8)
Ta—O3^i	1.993 (7)	O3—Ta^xix	1.993 (7)
Ta—Ga3^vi	3.1824 (8)	O3—Ga1^xix	1.993 (7)
Ta—Ga3^xi	3.1824 (8)	O3—La^xxi	2.403 (7)
O3^i—La—O3^ii	67.7 (4)	O3^vi—Ta—Ga3^xi	31.5 (2)
O3^i—La—O2^iii	108.0 (3)	O3^ii—Ta—Ga3^xi	97.9 (2)
O3^ii—La—O2^iii	140.0 (3)	O3^vii—Ta—Ga3^xi	87.2 (2)
O3^i—La—O2	140.0 (3)	O3^v—Ta—Ga3^xi	160.1 (2)
O3^ii—La—O2	108.0 (3)	O3^viii—Ta—Ga3^xi	114.0 (2)
O2^iii—La—O2	99.2 (4)	O3^i—Ta—Ga3^xi	54.4 (2)
O3^i—La—O1^iv	124.1 (2)	Ga3^vi—Ta—Ga3^xi	106.08 (4)
O3^ii—La—O1^iv	79.5 (2)	O3^vi—Ta—Ga3^xii	54.4 (2)
O2^iii—La—O1^iv	70.8 (3)	O3^ii—Ta—Ga3^xii	160.1 (2)
O2—La—O1^iv	91.9 (3)	O3^vii—Ta—Ga3^xii	31.5 (2)
O3^i—La—O1	79.5 (2)	O3^v—Ta—Ga3^xii	114.0 (2)
O3^ii—La—O1	124.1 (2)	O3^viii—Ta—Ga3^xii	97.9 (2)
O2^iii—La—O1	91.9 (3)	O3^i—Ta—Ga3^xii	87.2 (2)
O2—La—O1	70.8 (3)	Ga3^vi—Ta—Ga3^xii	145.011 (15)
O1^iv—La—O1	153.70 (6)	Ga3^xi—Ta—Ga3^xii	62.76 (3)
O3^i—La—O2^ii	65.5 (2)	O3^vi—Ta—Ga3^vii	114.0 (2)
O3^ii—La—O2^ii	78.9 (3)	O3^ii—Ta—Ga3^vii	87.2 (2)
O2^iii—La—O2^ii	64.6 (3)	O3^vii—Ta—Ga3^vii	97.9 (2)
O2—La—O2^ii	154.45 (11)	O3^v—Ta—Ga3^vii	54.4 (2)
O1^iv—La—O2^ii	64.7 (3)	O3^viii—Ta—Ga3^vii	31.5 (2)
O1—La—O2^ii	126.4 (3)	O3^i—Ta—Ga3^vii	160.1 (2)
O3^i—La—O2^i	78.9 (3)	Ga3^vi—Ta—Ga3^vii	62.76 (3)
O3^ii—La—O2^i	65.5 (2)	Ga3^xi—Ta—Ga3^vii	145.011 (15)
O2^iii—La—O2^i	154.45 (11)	Ga3^xii—Ta—Ga3^vii	106.08 (4)
O2—La—O2^i	64.6 (3)	O3^vi—Ta—Ga3^v	87.2 (2)
O1^iv—La—O2^i	126.4 (3)	O3^ii—Ta—Ga3^v	114.0 (2)
O1—La—O2^i	64.7 (3)	O3^vii—Ta—Ga3^v	54.4 (2)
O2^ii—La—O2^i	137.2 (3)	O3^v—Ta—Ga3^v	97.9 (2)
O3^i—La—Ga2	86.0 (2)	O3^viii—Ta—Ga3^v	160.1 (2)
O3^ii—La—Ga2	110.82 (19)	O3^i—Ta—Ga3^v	31.5 (2)
O2^iii—La—Ga2	31.67 (17)	Ga3^vi—Ta—Ga3^v	145.010 (15)
O2—La—Ga2	128.90 (18)	Ga3^xi—Ta—Ga3^v	62.76 (3)
O1^iv—La—Ga2	64.7 (3)	Ga3^xii—Ta—Ga3^v	62.76 (3)
O1—La—Ga2	110.5 (3)	Ga3^vii—Ta—Ga3^v	145.010 (15)
O2^ii—La—Ga2	32.93 (15)	O3^vi—Ta—Ga3^xiii	160.1 (2)
O2^i—La—Ga2	164.79 (18)	O3^ii—Ta—Ga3^xiii	54.4 (2)
O3^i—La—Ga2^v	110.82 (19)	O3^vii—Ta—Ga3^xiii	114.0 (2)
O3^ii—La—Ga2^v	86.0 (2)	O3^v—Ta—Ga3^xiii	31.5 (2)
O2^iii—La—Ga2^v	128.90 (18)	O3^viii—Ta—Ga3^xiii	87.2 (2)
O2—La—Ga2^v	31.67 (17)	O3^i—Ta—Ga3^xiii	97.9 (2)
O1^iv—La—Ga2^v	110.5 (3)	Ga3^vi—Ta—Ga3^xiii	62.76 (3)
O1—La—Ga2^v	64.7 (3)	Ga3^xi—Ta—Ga3^xiii	145.010 (15)
O2^ii—La—Ga2^v	164.79 (18)	Ga3^xii—Ta—Ga3^xiii	145.010 (15)
O2^i—La—Ga2^v	32.93 (15)	Ga3^vii—Ta—Ga3^xiii	62.76 (3)
Ga2—La—Ga2^v	160.17 (2)	Ga3^v—Ta—Ga3^xiii	106.08 (4)
O3^i—La—Ta	33.84 (18)	O1^xiv—Ga2—O2^iv	118.3 (3)
O3^ii—La—Ta	33.84 (18)	O1^xiv—Ga2—O2^ii	118.3 (3)
O2^iii—La—Ta	130.4 (2)	O2^iv—Ga2—O2^ii	99.3 (4)
O2—La—Ta	130.4 (2)	O1^xiv—Ga2—O2^iii	118.3 (3)
O1^iv—La—Ta	103.15 (3)	O2^iv—Ga2—O2^iii	99.3 (4)
O1—La—Ta	103.15 (3)	O2^ii—Ga2—O2^iii	99.3 (4)
O2^ii—La—Ta	68.60 (14)	O1^xiv—Ga2—La^vi	134.67 (3)
O2^i—La—Ta	68.60 (14)	O2^iv—Ga2—La^vi	56.1 (3)
Ga2—La—Ta	99.912 (11)	O2^ii—Ga2—La^vi	43.3 (2)
Ga2^v—La—Ta	99.913 (11)	O2^iii—Ga2—La^vi	106.5 (3)
O3^i—La—Ga1	33.84 (18)	O1^xiv—Ga2—La^iv	134.67 (3)
O3^ii—La—Ga1	33.84 (18)	O2^iv—Ga2—La^iv	43.3 (2)
O2^iii—La—Ga1	130.4 (2)	O2^ii—Ga2—La^iv	106.5 (3)
O2—La—Ga1	130.4 (2)	O2^iii—Ga2—La^iv	56.1 (3)
O1^iv—La—Ga1	103.15 (3)	La^vi—Ga2—La^iv	76.04 (5)
O1—La—Ga1	103.15 (3)	O1^xiv—Ga2—La	134.67 (3)
O2^ii—La—Ga1	68.60 (14)	O2^iv—Ga2—La	106.5 (3)
O2^i—La—Ga1	68.60 (14)	O2^ii—Ga2—La	56.1 (3)
Ga2—La—Ga1	99.912 (11)	O2^iii—Ga2—La	43.3 (2)
Ga2^v—La—Ga1	99.913 (11)	La^vi—Ga2—La	76.04 (5)
Ta—La—Ga1	0.0	La^iv—Ga2—La	76.04 (5)
O3^vi—Ga1—O3^ii	106.9 (4)	O1^xiv—Ga2—La^xi	41.82 (3)
O3^vi—Ga1—O3^vii	85.7 (3)	O2^iv—Ga2—La^xi	98.3 (3)
O3^ii—Ga1—O3^vii	163.2 (4)	O2^ii—Ga2—La^xi	89.1 (3)
O3^vi—Ga1—O3^v	163.2 (4)	O2^iii—Ga2—La^xi	159.0 (3)
O3^ii—Ga1—O3^v	85.7 (3)	La^vi—Ga2—La^xi	92.852 (5)
O3^vii—Ga1—O3^v	84.3 (4)	La^iv—Ga2—La^xi	139.555 (6)
O3^vi—Ga1—O3^viii	84.3 (4)	La—Ga2—La^xi	139.555 (6)
O3^ii—Ga1—O3^viii	85.7 (3)	O1^xiv—Ga2—La^xiv	41.82 (3)
O3^vii—Ga1—O3^viii	106.9 (4)	O2^iv—Ga2—La^xiv	89.1 (3)
O3^v—Ga1—O3^viii	85.7 (3)	O2^ii—Ga2—La^xiv	159.0 (3)
O3^vi—Ga1—O3^i	85.7 (3)	O2^iii—Ga2—La^xiv	98.3 (3)
O3^ii—Ga1—O3^i	84.3 (4)	La^vi—Ga2—La^xiv	139.555 (6)
O3^vii—Ga1—O3^i	85.7 (3)	La^iv—Ga2—La^xiv	92.852 (5)
O3^v—Ga1—O3^i	106.9 (4)	La—Ga2—La^xiv	139.555 (6)
O3^viii—Ga1—O3^i	163.2 (4)	La^xi—Ga2—La^xiv	70.54 (4)
O3^vi—Ga1—La^ix	42.2 (2)	O1^xiv—Ga2—La^xv	41.82 (3)
O3^ii—Ga1—La^ix	98.4 (2)	O2^iv—Ga2—La^xv	159.0 (3)
O3^vii—Ga1—La^ix	98.4 (2)	O2^ii—Ga2—La^xv	98.3 (3)
O3^v—Ga1—La^ix	126.5 (2)	O2^iii—Ga2—La^xv	89.1 (3)
O3^viii—Ga1—La^ix	42.2 (2)	La^vi—Ga2—La^xv	139.555 (6)
O3^i—Ga1—La^ix	126.5 (2)	La^iv—Ga2—La^xv	139.554 (6)
O3^vi—Ga1—La	98.4 (2)	La—Ga2—La^xv	92.852 (5)
O3^ii—Ga1—La	42.2 (2)	La^xi—Ga2—La^xv	70.54 (4)
O3^vii—Ga1—La	126.5 (2)	La^xiv—Ga2—La^xv	70.54 (4)
O3^v—Ga1—La	98.4 (2)	O3^iii—Ga3—O3^xvi	132.7 (4)
O3^viii—Ga1—La	126.5 (2)	O3^iii—Ga3—O2	99.5 (4)
O3^i—Ga1—La	42.2 (2)	O3^xvi—Ga3—O2	109.5 (3)
La^ix—Ga1—La	120.0	O3^iii—Ga3—O2^xvii	109.5 (3)
O3^vi—Ga1—La^x	126.5 (2)	O3^xvi—Ga3—O2^xvii	99.5 (4)
O3^ii—Ga1—La^x	126.5 (2)	O2—Ga3—O2^xvii	103.1 (5)
O3^vii—Ga1—La^x	42.2 (2)	O3^iii—Ga3—Ta^xviii	109.6 (3)
O3^v—Ga1—La^x	42.2 (2)	O3^xvi—Ga3—Ta^xviii	35.1 (2)
O3^viii—Ga1—La^x	98.4 (2)	O2—Ga3—Ta^xviii	144.4 (2)
O3^i—Ga1—La^x	98.4 (2)	O2^xvii—Ga3—Ta^xviii	86.2 (3)
La^ix—Ga1—La^x	120.0	O3^iii—Ga3—Ta^xix	35.08 (19)
La—Ga1—La^x	120.0	O3^xvi—Ga3—Ta^xix	109.6 (3)
O3^vi—Ta—O3^ii	106.9 (4)	O2—Ga3—Ta^xix	86.2 (3)
O3^vi—Ta—O3^vii	85.7 (3)	O2^xvii—Ga3—Ta^xix	144.5 (2)
O3^ii—Ta—O3^vii	163.2 (4)	Ta^xviii—Ga3—Ta^xix	106.08 (4)
O3^vi—Ta—O3^v	163.2 (4)	Ga2^xx—O1—La	110.0 (3)
O3^ii—Ta—O3^v	85.7 (3)	Ga2^xx—O1—La^v	110.0 (3)
O3^vii—Ta—O3^v	84.3 (4)	La—O1—La^v	109.0 (3)
O3^vi—Ta—O3^viii	84.3 (4)	Ga2^xx—O1—La^xxi	110.0 (3)
O3^ii—Ta—O3^viii	85.7 (3)	La—O1—La^xxi	109.0 (3)
O3^vii—Ta—O3^viii	106.9 (4)	La^v—O1—La^xxi	108.9 (3)
O3^v—Ta—O3^viii	85.7 (3)	Ga2^v—O2—Ga3	117.4 (6)
O3^vi—Ta—O3^i	85.7 (3)	Ga2^v—O2—La	105.0 (3)
O3^ii—Ta—O3^i	84.3 (4)	Ga3—O2—La	120.4 (3)
O3^vii—Ta—O3^i	85.7 (3)	Ga2^v—O2—La^xxi	91.0 (3)
O3^v—Ta—O3^i	106.9 (4)	Ga3—O2—La^xxi	112.7 (3)
O3^viii—Ta—O3^i	163.2 (4)	La—O2—La^xxi	106.0 (4)
O3^vi—Ta—Ga3^vi	97.9 (2)	Ga3^xv—O3—Ta^xix	113.4 (3)
O3^ii—Ta—Ga3^vi	31.5 (2)	Ga3^xv—O3—Ga1^xix	113.4 (3)
O3^vii—Ta—Ga3^vi	160.1 (2)	Ta^xix—O3—Ga1^xix	0.0
O3^v—Ta—Ga3^vi	87.2 (2)	Ga3^xv—O3—La^xxi	138.2 (3)
O3^viii—Ta—Ga3^vi	54.4 (2)	Ta^xix—O3—La^xxi	104.0 (4)
O3^i—Ta—Ga3^vi	114.0 (2)	Ga1^xix—O3—La^xxi	104.0 (4)

Symmetry codes: (i) −y, x−y+1, z; (ii) −x−1, −x+y−1, −z; (iii) x−y, −y, −z; (iv) y−1, x, −z; (v) y, x+1, −z; (vi) −x+y−1, −x−1, z; (vii) x+1, y, z; (viii) x−y+1, −y, −z; (ix) y, x, −z; (x) −x+y, −x, z; (xi) −x+y−1, −x−1, z+1; (xii) x+1, y, z+1; (xiii) y, x+1, −z−1; (xiv) y−1, x, −z+1; (xv) x, y, z+1; (xvi) x, y, z−1; (xvii) x−y, −y, −z−1; (xviii) x−1, y, z−1; (xix) x−1, y, z; (xx) y, x+1, −z+1; (xxi) −x+y−1, −x, z.

(5.2cad4)

Crystal data

Ga5.50La3Nb0.50O14	V = 290.4 Å^3
Mr = 1070.65	Z = 1
?, ?	F(000) = 474
a = 8.121 Å	Dx = 6.123 Mg m^−3
b = 8.121 Å	Mo Kα radiation, λ = 0.71070 Å
c = 5.084 Å	µ = 23.87 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.063
Graphite monochromator	θmax = 32.0°, θmin = 2.9°
1593 measured reflections	h = −11→11
412 independent reflections	k = −12→12
410 reflections with I > 2σ(I)	l = −4→4

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.038	(Δ/σ)max < 0.001
wR(F^2) = 0.129	Δρmax = 1.62 e Å^−3
S = 1.22	Δρmin = −1.40 e Å^−3
412 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
39 parameters	Extinction coefficient: 0.19 (2)
0 restraints	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: −0.19 (11)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La	0.42755 (14)	0.0000	0.0000	0.0282 (6)
Ga1	0.0000	0.0000	0.0000	0.0282 (12)	0.50
Ga2	0.6667	0.3333	−0.5298 (9)	0.0265 (10)
Ga3	0.7647 (3)	0.0000	0.5000	0.0290 (9)
Nb	0.0000	0.0000	0.0000	0.0282 (12)	0.50
O1	0.3333	−0.3333	0.182 (7)	0.035 (7)
O2	0.5467 (18)	−0.145 (2)	−0.304 (4)	0.036 (4)
O3	0.7841 (15)	−0.1468 (15)	0.240 (4)	0.039 (5)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La	0.0272 (5)	0.0246 (6)	0.0320 (13)	0.0123 (3)	0.0000 (2)	−0.0001 (4)
Ga1	0.0258 (11)	0.0258 (11)	0.033 (4)	0.0129 (5)	0.000	0.000
Ga2	0.0267 (9)	0.0267 (9)	0.026 (3)	0.0133 (4)	0.000	0.000
Ga3	0.0272 (8)	0.0299 (11)	0.031 (3)	0.0150 (5)	−0.0021 (4)	−0.0042 (8)
Nb	0.0258 (11)	0.0258 (11)	0.033 (4)	0.0129 (5)	0.000	0.000
O1	0.030 (6)	0.030 (6)	0.05 (3)	0.015 (3)	0.000	0.000
O2	0.041 (7)	0.051 (7)	0.013 (16)	0.021 (6)	0.006 (5)	−0.009 (6)
O3	0.034 (5)	0.024 (5)	0.056 (17)	0.012 (4)	0.006 (6)	−0.002 (5)

Bond lengths (Å)

La—O3^i	2.392 (14)	O2—O3^xvi	3.02 (2)
La—O3^ii	2.392 (14)	O2—O1^xvi	3.09 (3)
La—O2^iii	2.418 (16)	O2—O3	3.37 (3)
La—O2	2.418 (16)	O2—O1^iv	3.555 (15)
La—O1	2.587 (12)	O2—Nb^xxii	3.604 (15)
La—O1^iv	2.587 (12)	O2—Ga1^xxii	3.604 (15)
La—O2^i	2.859 (17)	O2—O2^iii	3.70 (4)
La—O2^ii	2.859 (17)	O2—O3^ii	3.875 (16)
La—Ga2^v	3.400 (3)	O2—La^xvi	4.00 (2)
La—Ga2^vi	3.400 (3)	O2—Ga3^xxxiii	4.217 (13)
La—Ga1	3.4721 (11)	O2—Ga3^viii	4.241 (13)
La—Nb	3.4721 (11)	O2—O3^xliv	4.28 (2)
Ga1—O3^i	1.972 (15)	O2—La^xxxiv	4.280 (18)
Ga1—O3^vii	1.972 (15)	O2—La^viii	4.328 (15)
Ga1—O3^viii	1.972 (15)	O2—O3^xlvii	4.42 (2)
Ga1—O3^ix	1.972 (15)	O2—Ga3^xxxiv	4.471 (14)
Ga1—O3^ii	1.972 (15)	O2—La^iv	4.521 (14)
Ga1—O3^x	1.972 (15)	O2—O3^i	4.53 (2)
Ga1—La^xi	3.4721 (11)	O2—Ga2^viii	4.54 (2)
Ga1—La^xii	3.4721 (11)	O2—O2^xliii	4.572 (19)
Ga1—O2^viii	3.604 (15)	O2—O2^xiv	4.572 (19)
Ga1—O2^i	3.604 (15)	O2—O3^xx	4.67 (2)
Ga1—O2^ii	3.604 (15)	O2—O2^xlviii	4.77 (3)
Ga2—O1^iv	1.77 (3)	O2—Nb^xlix	4.810 (17)
Ga2—O2^xiii	1.846 (15)	O2—Ga1^xlix	4.810 (17)
Ga2—O2^xiv	1.846 (15)	O2—O3^l	4.818 (14)
Ga2—O2^xv	1.846 (15)	O2—O1^xxxiii	4.838 (15)
Ga2—O1^xv	3.31 (3)	O2—Ga2^xxxv	4.934 (14)
Ga2—La^xvi	3.400 (3)	O2—Ga3^xlvii	4.953 (13)
Ga2—La^xv	3.400 (3)	O2—Ga3^xvii	4.974 (14)
Ga2—La^xvii	3.400 (3)	O2—O2^v	5.0840
Ga2—O3^iii	3.511 (13)	O2—O2^xvi	5.0840
Ga2—O3^ii	3.511 (13)	O2—O2^xxxi	5.14 (3)
Ga2—O3^iv	3.511 (13)	O2—O2^ii	5.14 (3)
Ga2—La^iv	3.619 (3)	O2—O3^li	5.149 (18)
Ga3—O3^xviii	1.840 (16)	O2—O3^xxxiv	5.219 (18)
Ga3—O3	1.840 (16)	O2—Ga2^v	5.266 (18)
Ga3—O2^v	1.853 (16)	O2—O2^vi	5.27 (2)
Ga3—O2^iii	1.853 (16)	O2—O2^xv	5.27 (2)
Ga3—O3^xix	2.569 (16)	O2—O2^xxxiii	5.32 (3)
Ga3—O3^xx	2.569 (16)	O2—O3^xxv	5.363 (19)
Ga3—Nb^xxi	3.1800 (14)	O2—La^vi	5.374 (17)
Ga3—Nb^xxii	3.1800 (14)	O2—O3^viii	5.377 (17)
Ga3—O1	3.569 (15)	O2—O3^xxxii	5.425 (17)
Ga3—O1^xxiii	3.569 (15)	O2—O3^xxviii	5.43 (2)
Ga3—O3^xxiv	3.665 (12)	O2—O3^xlviii	5.53 (3)
Ga3—O3^xxv	3.665 (12)	O2—La^xv	5.531 (18)
Nb—O3^i	1.972 (15)	O2—O3^xiii	5.53 (3)
Nb—O3^vii	1.972 (15)	O2—O3^xxxi	5.560 (19)
Nb—O3^viii	1.972 (15)	O2—O2^xxv	5.64 (2)
Nb—O3^ix	1.972 (15)	O2—O2^xx	5.64 (2)
Nb—O3^ii	1.972 (15)	O2—O1^xv	5.67 (3)
Nb—O3^x	1.972 (15)	O2—O2^viii	5.77 (2)
Nb—Ga3^xxvi	3.1800 (14)	O2—O2^iv	5.77 (2)
Nb—Ga3^ix	3.1800 (14)	O2—O2^xxix	5.824 (11)
Nb—Ga3^vii	3.1800 (14)	O2—O2^xxx	5.824 (11)
Nb—Ga3^viii	3.1800 (14)	O2—O2^xxxiv	5.824 (11)
Nb—Ga3^xxvii	3.1800 (14)	O2—O2^xliv	5.824 (11)
Nb—Ga3^xvii	3.1800 (14)	O2—La^ix	5.929 (14)
O1—Ga2^viii	1.77 (3)	O2—O2^ix	6.06 (2)
O1—La^xxviii	2.587 (12)	O2—O2^lii	6.06 (2)
O1—La^viii	2.587 (12)	O2—O3^xix	6.10 (3)
O1—O2	2.96 (3)	O2—O3^xviii	6.10 (3)
O1—O2^xxviii	2.96 (3)	O2—O3^xiv	6.13 (3)
O1—O2^i	2.96 (3)	O2—O1^viii	6.255 (13)
O1—O2^xxix	3.09 (3)	O2—O3^xvii	6.355 (19)
O1—O2^v	3.09 (3)	O3—Nb^xxii	1.972 (15)
O1—O2^xxx	3.09 (3)	O3—Ga1^xxii	1.972 (15)
O1—O3^xxviii	3.200 (11)	O3—La^xxviii	2.392 (14)
O1—O3^i	3.200 (12)	O3—Ga3^xix	2.569 (16)
O1—O3	3.200 (12)	O3—O3^xxxiii	2.62 (4)
O1—Ga2^vi	3.31 (3)	O3—O3^xxv	2.686 (18)
O1—O2^xxxi	3.555 (15)	O3—O3^xx	2.686 (18)
O1—O2^viii	3.555 (15)	O3—O3^xix	2.82 (4)
O1—O2^iii	3.555 (15)	O3—O2^xxxiii	2.840 (18)
O1—Ga3^xxviii	3.569 (15)	O3—O2^iii	2.839 (18)
O1—Ga3^xxvi	3.569 (15)	O3—O2^v	3.02 (2)
O1—O3^xxxii	4.39 (2)	O3—O3^iii	3.19 (4)
O1—O3^xxxiii	4.39 (2)	O3—O3^xviii	3.36 (3)
O1—O3^ii	4.39 (2)	O3—Ga2^viii	3.511 (13)
O1—Ga3^xxxiv	4.70 (2)	O3—Ga3^xx	3.665 (12)
O1—Ga3^xvi	4.70 (2)	O3—O2^xxxi	3.875 (16)
O1—Ga3^viii	4.70 (2)	O3—O3^l	3.89 (3)
O1—Ga1^xxxv	4.779 (7)	O3—Ga3^xvi	3.97 (2)
O1—Nb^xxxv	4.779 (7)	O3—Ga2^xxxviii	4.010 (13)
O1—Ga1^xxii	4.779 (7)	O3—O3^xxiv	4.03 (3)
O1—Nb^xxii	4.779 (7)	O3—Nb^xxi	4.16 (2)
O1—La^xxix	4.81 (3)	O3—Ga1^xxi	4.16 (2)
O1—La^xxvi	4.81 (3)	O3—La^iv	4.259 (12)
O1—La^v	4.81 (3)	O3—O2^xxix	4.28 (2)
O1—O3^xxxvi	4.83 (3)	O3—Ga3^xxxiii	4.358 (18)
O1—O3^xix	4.83 (3)	O3—La^xxix	4.379 (19)
O1—O3^xxxvii	4.83 (3)	O3—O1^xxxiii	4.39 (2)
O1—O2^xxxii	4.838 (15)	O3—O2^liii	4.42 (2)
O1—O2^xxxiii	4.838 (15)	O3—O2^xxviii	4.53 (2)
O1—O2^ii	4.838 (15)	O3—Ga2^v	4.605 (12)
O1—Ga2^xxxviii	4.913 (10)	O3—O2^xxv	4.67 (2)
O1—Ga2^xxxix	4.913 (10)	O3—La^xxxiii	4.751 (12)
O1—Ga2^v	4.913 (10)	O3—Ga2^vi	4.814 (19)
O1—O3^xxxi	4.94 (2)	O3—O1^xix	4.83 (3)
O1—O3^iii	4.94 (2)	O3—O2^l	4.818 (14)
O1—O3^viii	4.94 (2)	O3—La^xxii	4.897 (12)
O1—O1^xxxiii	5.04 (2)	O3—Ga3^xxviii	4.943 (11)
O1—O1^viii	5.04 (2)	O3—O1^iv	4.94 (2)
O1—O1^iv	5.04 (2)	O3—O3^v	5.0840
O1—O1^v	5.0840	O3—O3^xvi	5.0840
O1—O1^xvi	5.0840	O3—Ga3^xlvii	5.082 (17)
O1—Ga3^xl	5.315 (10)	O3—O2^liv	5.149 (18)
O1—Ga3^xix	5.315 (10)	O3—O2^xxx	5.219 (18)
O1—Ga3^ix	5.316 (10)	O3—La^v	5.310 (17)
O1—O3^xli	5.34 (2)	O3—O1^xxiii	5.34 (2)
O1—O3^xviii	5.34 (2)	O3—O2^xx	5.363 (19)
O1—O3^xxvi	5.34 (2)	O3—O1^xxii	5.388 (13)
O1—O3^xlii	5.388 (13)	O3—O2^iv	5.377 (17)
O1—O3^xx	5.388 (13)	O3—O2^xlv	5.425 (17)
O1—O3^vii	5.388 (13)	O3—O2^i	5.43 (2)
O1—O2^xliii	5.67 (3)	O3—Ga2^xxxv	5.478 (16)
O1—O2^vi	5.67 (3)	O3—O3^xxviii	5.518 (19)
O1—O2^xiii	5.67 (3)	O3—O3^i	5.518 (19)
O1—O1^xix	5.70 (4)	O3—O2^xlviii	5.53 (3)
O1—O1^xxvi	5.70 (4)	O3—O2^xiii	5.53 (3)
O1—O1^xxiii	5.70 (4)	O3—Ga2^xxxiii	5.579 (14)
O1—O3^xxxiv	5.75 (3)	O3—O2^ii	5.560 (19)
O1—O3^xvi	5.75 (3)	O3—La^xxiii	5.620 (16)
O1—O3^xliv	5.75 (3)	O3—La^viii	5.654 (12)
O1—O3^xl	5.844 (10)	O3—O1^v	5.75 (3)
O1—O3^xxv	5.844 (10)	O3—O3^liii	5.750 (8)
O1—O3^ix	5.844 (10)	O3—O3^li	5.750 (8)
O1—La^xxxv	5.907 (5)	O3—O3^liv	5.750 (8)
O1—La^xi	5.907 (5)	O3—O3^xlvii	5.750 (8)
O1—La^iv	5.907 (5)	O3—O1^lv	5.844 (10)
O1—O2^xlv	6.255 (13)	O3—La^xix	6.002 (17)
O1—O2^xlvi	6.255 (13)	O3—O2^xix	6.10 (3)
O1—O2^iv	6.255 (13)	O3—O2^xviii	6.10 (3)
O1—O3^xxix	6.25 (3)	O3—La^xxi	6.118 (17)
O2—Ga2^vi	1.846 (15)	O3—O2^xliii	6.13 (3)
O2—Ga3^xvi	1.853 (16)	O3—La^xxxv	6.150 (11)
O2—O3^xxxiii	2.840 (18)	O3—O3^xxxi	6.20 (2)
O2—O2^xxviii	2.84 (2)	O3—O3^ii	6.20 (2)
O2—O2^i	2.84 (2)	O3—La^xx	6.260 (11)
O2—La^xxviii	2.859 (17)	O3—O1^xvi	6.25 (3)
O2—O3^iii	2.839 (18)	O3—O3^xli	6.28 (2)
O2—O2^xiii	2.85 (4)

Symmetry codes: (i) −y, x−y−1, z; (ii) −x+1, −x+y+1, −z; (iii) x−y, −y, −z; (iv) y+1, x, −z; (v) x, y, z+1; (vi) y, x−1, −z−1; (vii) x−1, y, z; (viii) y, x−1, −z; (ix) −x+y+1, −x+1, z; (x) x−y−1, −y, −z; (xi) −x+y, −x, z; (xii) y, x, −z; (xiii) x−y, −y, −z−1; (xiv) −x+1, −x+y+1, −z−1; (xv) y+1, x, −z−1; (xvi) x, y, z−1; (xvii) −x+y+1, −x+1, z−1; (xviii) x−y, −y, −z+1; (xix) y+1, x−1, −z+1; (xx) −x+y+2, −x+1, z; (xxi) x+1, y, z+1; (xxii) x+1, y, z; (xxiii) y+1, x, −z+1; (xxiv) −x+2, −x+y+1, −z+1; (xxv) −y+1, x−y−1, z; (xxvi) y, x−1, −z+1; (xxvii) x−1, y, z−1; (xxviii) −x+y+1, −x, z; (xxix) −x+y+1, −x, z+1; (xxx) −y, x−y−1, z+1; (xxxi) −x+1, −x+y, −z; (xxxii) x−y−1, −y−1, −z; (xxxiii) y+1, x−1, −z; (xxxiv) −x+y+1, −x, z−1; (xxxv) x, y−1, z; (xxxvi) x−y−1, −y−1, −z+1; (xxxvii) −x+1, −x+y+1, −z+1; (xxxviii) x, y−1, z+1; (xxxix) x−1, y−1, z+1; (xl) x−1, y−1, z; (xli) −x+1, −x+y, −z+1; (xlii) −y, x−y−2, z; (xliii) −x+1, −x+y, −z−1; (xliv) −y, x−y−1, z−1; (xlv) x−y, −y−1, −z; (xlvi) −x, −x+y, −z; (xlvii) −x+y+2, −x+1, z−1; (xlviii) y+1, x−1, −z−1; (xlix) x+1, y, z−1; (l) −x+2, −x+y+1, −z; (li) −y+1, x−y−1, z−1; (lii) −y+1, x−y, z; (liii) −y+1, x−y−1, z+1; (liv) −x+y+2, −x+1, z+1; (lv) x+1, y+1, z.

(6.1cad4)

Crystal data

Ga5.54La3O14Ta0.46	V = 288.7 Å^3
Mr = 1110.22	Z = 1
?, ?	F(000) = 488
a = 8.105 Å	Dx = 6.387 Mg m^−3
b = 8.105 Å	Mo Kα radiation, λ = 0.71073 Å
c = 5.074 Å	µ = 27.97 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.072
Graphite monochromator	θmax = 31.9°, θmin = 2.9°
1530 measured reflections	h = −12→12
424 independent reflections	k = −10→10
421 reflections with I > 2σ(I)	l = −6→6

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.041	(Δ/σ)max < 0.001
wR(F^2) = 0.098	Δρmax = 1.84 e Å^−3
S = 0.93	Δρmin = −2.35 e Å^−3
424 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
39 parameters	Extinction coefficient: 0.155 (13)
0 restraints	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: −0.03 (6)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La	−0.42883 (14)	0.0000	0.0000	0.0163 (4)
Ga1	0.0000	0.0000	0.0000	0.0158 (5)	0.50
Ta	0.0000	0.0000	0.0000	0.0158 (5)	0.50
Ga2	−0.6667	−0.3333	−0.5305 (6)	0.0157 (6)
Ga3	−0.7643 (3)	0.0000	−0.5000	0.0168 (5)
Q1	−0.3333	0.3333	0.166 (4)	0.016 (3)
Q2	−0.4552 (16)	−0.3062 (17)	0.306 (3)	0.027 (3)
Q3	−0.2166 (16)	−0.0719 (18)	−0.239 (2)	0.027 (3)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La	0.0189 (5)	0.0154 (5)	0.0135 (7)	0.0077 (3)	−0.0005 (2)	−0.0009 (5)
Ga1	0.0181 (7)	0.0181 (7)	0.0114 (12)	0.0090 (3)	0.000	0.000
Ta	0.0181 (7)	0.0181 (7)	0.0114 (12)	0.0090 (3)	0.000	0.000
Ga2	0.0178 (8)	0.0178 (8)	0.0115 (15)	0.0089 (4)	0.000	0.000
Ga3	0.0155 (7)	0.0197 (10)	0.0166 (13)	0.0098 (5)	0.0034 (4)	0.0068 (8)
Q1	0.012 (4)	0.012 (4)	0.023 (11)	0.006 (2)	0.000	0.000
Q2	0.019 (6)	0.031 (6)	0.022 (7)	0.007 (4)	−0.005 (4)	−0.009 (5)
Q3	0.018 (5)	0.027 (6)	0.038 (9)	0.013 (4)	−0.013 (5)	−0.021 (5)

Geometric parameters (Å, º)

La—Q3	2.402 (11)	Ta—Ga3^xii	3.1757 (14)
La—Q3^i	2.402 (11)	Ta—Ga3^xiii	3.1757 (14)
La—Q2^ii	2.427 (12)	Ta—Ga3^xiv	3.1758 (14)
La—Q2^iii	2.427 (12)	Ta—Ga3^xv	3.1758 (14)
La—Q1	2.553 (6)	Ta—Ga3^vi	3.1758 (14)
La—Q1^iv	2.553 (6)	Ga2—Q2^xvi	1.815 (12)
La—Q2	2.844 (12)	Ga2—Q2^xvii	1.815 (12)
La—Q2^i	2.844 (12)	Ga2—Q2^xviii	1.815 (12)
La—Ga2^v	3.389 (2)	Ga2—Q1^iv	1.848 (18)
La—Ga2^vi	3.389 (2)	Ga2—La^xvi	3.389 (2)
La—Ta	3.4757 (11)	Ga2—La^xix	3.389 (2)
La—Ga1	3.4757 (11)	Ga2—La^xvii	3.389 (2)
Ga1—Q3^vii	1.968 (10)	Ga2—La^xiv	3.613 (2)
Ga1—Q3^viii	1.968 (10)	Ga2—La^iv	3.613 (2)
Ga1—Q3^ix	1.968 (10)	Ga3—Q3^ii	1.826 (11)
Ga1—Q3^i	1.968 (10)	Ga3—Q3^xx	1.826 (11)
Ga1—Q3	1.968 (10)	Ga3—Q2^xviii	1.856 (11)
Ga1—Q3^x	1.968 (10)	Ga3—Q2^iii	1.856 (11)
Ga1—La^vii	3.4757 (11)	Ga3—Ta^xxi	3.1757 (14)
Ga1—La^x	3.4757 (11)	Ga3—Ta^xxii	3.1758 (14)
Ta—Q3^vii	1.968 (10)	Q1—Ga2^xiii	1.848 (18)
Ta—Q3^viii	1.968 (10)	Q1—La^xiii	2.553 (6)
Ta—Q3^ix	1.968 (10)	Q1—La^xxiii	2.553 (6)
Ta—Q3^i	1.968 (10)	Q2—Ga2^v	1.815 (12)
Ta—Q3	1.968 (10)	Q2—Ga3^xi	1.856 (11)
Ta—Q3^x	1.968 (10)	Q2—La^xiv	2.427 (12)
Ta—Ga3^xi	3.1757 (14)	Q3—Ga3^xiv	1.826 (11)
Q3—La—Q3^i	66.3 (5)	Q3^vii—Ta—Ga3^xii	54.3 (4)
Q3—La—Q2^ii	139.9 (4)	Q3^viii—Ta—Ga3^xii	31.8 (3)
Q3^i—La—Q2^ii	107.4 (4)	Q3^ix—Ta—Ga3^xii	97.8 (4)
Q3—La—Q2^iii	107.4 (4)	Q3^i—Ta—Ga3^xii	87.4 (3)
Q3^i—La—Q2^iii	139.9 (4)	Q3—Ta—Ga3^xii	160.1 (4)
Q2^ii—La—Q2^iii	101.0 (6)	Q3^x—Ta—Ga3^xii	113.7 (3)
Q3—La—Q1	123.3 (3)	Ga3^xi—Ta—Ga3^xii	62.79 (5)
Q3^i—La—Q1	80.2 (3)	Q3^vii—Ta—Ga3^xiii	87.4 (3)
Q2^ii—La—Q1	92.3 (4)	Q3^viii—Ta—Ga3^xiii	54.3 (4)
Q2^iii—La—Q1	70.9 (4)	Q3^ix—Ta—Ga3^xiii	160.1 (4)
Q3—La—Q1^iv	80.2 (3)	Q3^i—Ta—Ga3^xiii	31.8 (3)
Q3^i—La—Q1^iv	123.3 (3)	Q3—Ta—Ga3^xiii	113.7 (3)
Q2^ii—La—Q1^iv	70.9 (4)	Q3^x—Ta—Ga3^xiii	97.8 (4)
Q2^iii—La—Q1^iv	92.3 (4)	Ga3^xi—Ta—Ga3^xiii	62.79 (5)
Q1—La—Q1^iv	153.89 (8)	Ga3^xii—Ta—Ga3^xiii	62.79 (5)
Q3—La—Q2	79.3 (4)	Q3^vii—Ta—Ga3^xiv	97.8 (4)
Q3^i—La—Q2	65.2 (4)	Q3^viii—Ta—Ga3^xiv	160.1 (4)
Q2^ii—La—Q2	63.5 (5)	Q3^ix—Ta—Ga3^xiv	54.3 (4)
Q2^iii—La—Q2	154.83 (19)	Q3^i—Ta—Ga3^xiv	113.7 (3)
Q1—La—Q2	126.4 (4)	Q3—Ta—Ga3^xiv	31.8 (3)
Q1^iv—La—Q2	64.5 (4)	Q3^x—Ta—Ga3^xiv	87.4 (3)
Q3—La—Q2^i	65.2 (4)	Ga3^xi—Ta—Ga3^xiv	106.04 (7)
Q3^i—La—Q2^i	79.3 (4)	Ga3^xii—Ta—Ga3^xiv	144.99 (3)
Q2^ii—La—Q2^i	154.83 (19)	Ga3^xiii—Ta—Ga3^xiv	144.99 (3)
Q2^iii—La—Q2^i	63.5 (5)	Q3^vii—Ta—Ga3^xv	113.7 (3)
Q1—La—Q2^i	64.5 (4)	Q3^viii—Ta—Ga3^xv	97.8 (4)
Q1^iv—La—Q2^i	126.4 (4)	Q3^ix—Ta—Ga3^xv	31.8 (3)
Q2—La—Q2^i	137.7 (5)	Q3^i—Ta—Ga3^xv	160.1 (4)
Q3—La—Ga2^v	110.7 (3)	Q3—Ta—Ga3^xv	87.4 (3)
Q3^i—La—Ga2^v	86.1 (3)	Q3^x—Ta—Ga3^xv	54.3 (4)
Q2^ii—La—Ga2^v	31.1 (3)	Ga3^xi—Ta—Ga3^xv	144.99 (3)
Q2^iii—La—Ga2^v	129.7 (3)	Ga3^xii—Ta—Ga3^xv	106.04 (7)
Q1—La—Ga2^v	111.2 (4)	Ga3^xiii—Ta—Ga3^xv	144.99 (3)
Q1^iv—La—Ga2^v	64.0 (4)	Ga3^xiv—Ta—Ga3^xv	62.79 (5)
Q2—La—Ga2^v	32.4 (2)	Q3^vii—Ta—Ga3^vi	160.1 (4)
Q2^i—La—Ga2^v	165.3 (3)	Q3^viii—Ta—Ga3^vi	113.7 (3)
Q3—La—Ga2^vi	86.1 (3)	Q3^ix—Ta—Ga3^vi	87.4 (3)
Q3^i—La—Ga2^vi	110.7 (3)	Q3^i—Ta—Ga3^vi	97.8 (4)
Q2^ii—La—Ga2^vi	129.7 (3)	Q3—Ta—Ga3^vi	54.3 (4)
Q2^iii—La—Ga2^vi	31.1 (3)	Q3^x—Ta—Ga3^vi	31.8 (3)
Q1—La—Ga2^vi	64.0 (4)	Ga3^xi—Ta—Ga3^vi	144.99 (3)
Q1^iv—La—Ga2^vi	111.2 (4)	Ga3^xii—Ta—Ga3^vi	144.99 (3)
Q2—La—Ga2^vi	165.3 (3)	Ga3^xiii—Ta—Ga3^vi	106.04 (7)
Q2^i—La—Ga2^vi	32.4 (2)	Ga3^xiv—Ta—Ga3^vi	62.79 (5)
Ga2^v—La—Ga2^vi	160.40 (4)	Ga3^xv—Ta—Ga3^vi	62.79 (5)
Q3—La—Ta	33.2 (2)	Q2^xvi—Ga2—Q2^xvii	100.8 (5)
Q3^i—La—Ta	33.2 (2)	Q2^xvi—Ga2—Q2^xviii	100.8 (5)
Q2^ii—La—Ta	129.5 (3)	Q2^xvii—Ga2—Q2^xviii	100.8 (5)
Q2^iii—La—Ta	129.5 (3)	Q2^xvi—Ga2—Q1^iv	117.2 (4)
Q1—La—Ta	103.06 (4)	Q2^xvii—Ga2—Q1^iv	117.2 (4)
Q1^iv—La—Ta	103.06 (4)	Q2^xviii—Ga2—Q1^iv	117.2 (4)
Q2—La—Ta	68.8 (2)	Q2^xvi—Ga2—La^xvi	57.0 (4)
Q2^i—La—Ta	68.8 (2)	Q2^xvii—Ga2—La^xvi	43.7 (4)
Ga2^v—La—Ta	99.800 (19)	Q2^xviii—Ga2—La^xvi	107.6 (4)
Ga2^vi—La—Ta	99.801 (19)	Q1^iv—Ga2—La^xvi	134.67 (4)
Q3—La—Ga1	33.2 (2)	Q2^xvi—Ga2—La^xix	43.7 (4)
Q3^i—La—Ga1	33.2 (2)	Q2^xvii—Ga2—La^xix	107.6 (4)
Q2^ii—La—Ga1	129.5 (3)	Q2^xviii—Ga2—La^xix	57.0 (4)
Q2^iii—La—Ga1	129.5 (3)	Q1^iv—Ga2—La^xix	134.67 (4)
Q1—La—Ga1	103.06 (4)	La^xvi—Ga2—La^xix	76.03 (6)
Q1^iv—La—Ga1	103.06 (4)	Q2^xvi—Ga2—La^xvii	107.6 (4)
Q2—La—Ga1	68.8 (2)	Q2^xvii—Ga2—La^xvii	57.0 (4)
Q2^i—La—Ga1	68.8 (2)	Q2^xviii—Ga2—La^xvii	43.7 (4)
Ga2^v—La—Ga1	99.800 (19)	Q1^iv—Ga2—La^xvii	134.67 (4)
Ga2^vi—La—Ga1	99.801 (19)	La^xvi—Ga2—La^xvii	76.03 (6)
Ta—La—Ga1	0.0	La^xix—Ga2—La^xvii	76.03 (6)
Q3^vii—Ga1—Q3^viii	86.0 (5)	Q2^xvi—Ga2—La^xiv	97.5 (4)
Q3^vii—Ga1—Q3^ix	83.8 (6)	Q2^xvii—Ga2—La^xiv	87.9 (4)
Q3^viii—Ga1—Q3^ix	107.1 (8)	Q2^xviii—Ga2—La^xiv	157.8 (4)
Q3^vii—Ga1—Q3^i	86.0 (5)	Q1^iv—Ga2—La^xiv	41.84 (3)
Q3^viii—Ga1—Q3^i	86.0 (5)	La^xvi—Ga2—La^xiv	92.836 (8)
Q3^ix—Ga1—Q3^i	162.7 (7)	La^xix—Ga2—La^xiv	139.551 (7)
Q3^vii—Ga1—Q3	107.1 (8)	La^xvii—Ga2—La^xiv	139.550 (7)
Q3^viii—Ga1—Q3	162.7 (7)	Q2^xvi—Ga2—La^iv	87.9 (4)
Q3^ix—Ga1—Q3	86.0 (5)	Q2^xvii—Ga2—La^iv	157.8 (4)
Q3^i—Ga1—Q3	83.8 (6)	Q2^xviii—Ga2—La^iv	97.5 (4)
Q3^vii—Ga1—Q3^x	162.7 (7)	Q1^iv—Ga2—La^iv	41.84 (3)
Q3^viii—Ga1—Q3^x	83.8 (6)	La^xvi—Ga2—La^iv	139.551 (7)
Q3^ix—Ga1—Q3^x	86.0 (5)	La^xix—Ga2—La^iv	92.835 (8)
Q3^i—Ga1—Q3^x	107.1 (8)	La^xvii—Ga2—La^iv	139.550 (7)
Q3—Ga1—Q3^x	86.0 (5)	La^xiv—Ga2—La^iv	70.57 (5)
Q3^vii—Ga1—La^vii	41.9 (3)	Q2^xvi—Ga2—La	157.8 (4)
Q3^viii—Ga1—La^vii	98.6 (3)	Q2^xvii—Ga2—La	97.5 (4)
Q3^ix—Ga1—La^vii	41.9 (3)	Q2^xviii—Ga2—La	87.9 (4)
Q3^i—Ga1—La^vii	126.5 (4)	Q1^iv—Ga2—La	41.84 (3)
Q3—Ga1—La^vii	98.6 (3)	La^xvi—Ga2—La	139.550 (7)
Q3^x—Ga1—La^vii	126.4 (4)	La^xix—Ga2—La	139.550 (7)
Q3^vii—Ga1—La	98.6 (3)	La^xvii—Ga2—La	92.835 (8)
Q3^viii—Ga1—La	126.4 (4)	La^xiv—Ga2—La	70.57 (5)
Q3^ix—Ga1—La	126.4 (4)	La^iv—Ga2—La	70.57 (5)
Q3^i—Ga1—La	41.9 (3)	Q3^ii—Ga3—Q3^xx	132.1 (8)
Q3—Ga1—La	41.9 (3)	Q3^ii—Ga3—Q2^xviii	109.1 (5)
Q3^x—Ga1—La	98.6 (3)	Q3^xx—Ga3—Q2^xviii	100.8 (5)
La^vii—Ga1—La	120.0	Q3^ii—Ga3—Q2^iii	100.8 (5)
Q3^vii—Ga1—La^x	126.5 (4)	Q3^xx—Ga3—Q2^iii	109.1 (5)
Q3^viii—Ga1—La^x	41.9 (3)	Q2^xviii—Ga3—Q2^iii	101.4 (7)
Q3^ix—Ga1—La^x	98.6 (3)	Q3^ii—Ga3—Ta^xxi	34.6 (3)
Q3^i—Ga1—La^x	98.6 (3)	Q3^xx—Ga3—Ta^xxi	109.6 (4)
Q3—Ga1—La^x	126.4 (4)	Q2^xviii—Ga3—Ta^xxi	143.6 (4)
Q3^x—Ga1—La^x	41.9 (3)	Q2^iii—Ga3—Ta^xxi	87.6 (4)
La^vii—Ga1—La^x	120.0	Q3^ii—Ga3—Ta^xxii	109.6 (4)
La—Ga1—La^x	120.0	Q3^xx—Ga3—Ta^xxii	34.6 (3)
Q3^vii—Ta—Q3^viii	86.0 (5)	Q2^xviii—Ga3—Ta^xxii	87.6 (4)
Q3^vii—Ta—Q3^ix	83.8 (6)	Q2^iii—Ga3—Ta^xxii	143.6 (4)
Q3^viii—Ta—Q3^ix	107.1 (8)	Ta^xxi—Ga3—Ta^xxii	106.04 (7)
Q3^vii—Ta—Q3^i	86.0 (5)	Ga2^xiii—Q1—La	109.3 (4)
Q3^viii—Ta—Q3^i	86.0 (5)	Ga2^xiii—Q1—La^xiii	109.3 (4)
Q3^ix—Ta—Q3^i	162.7 (7)	La—Q1—La^xiii	109.7 (4)
Q3^vii—Ta—Q3	107.1 (8)	Ga2^xiii—Q1—La^xxiii	109.3 (4)
Q3^viii—Ta—Q3	162.7 (7)	La—Q1—La^xxiii	109.7 (4)
Q3^ix—Ta—Q3	86.0 (5)	La^xiii—Q1—La^xxiii	109.7 (4)
Q3^i—Ta—Q3	83.8 (6)	Ga2^v—Q2—Ga3^xi	119.8 (7)
Q3^vii—Ta—Q3^x	162.7 (7)	Ga2^v—Q2—La^xiv	105.1 (5)
Q3^viii—Ta—Q3^x	83.8 (6)	Ga3^xi—Q2—La^xiv	119.9 (6)
Q3^ix—Ta—Q3^x	86.0 (5)	Ga2^v—Q2—La	90.6 (4)
Q3^i—Ta—Q3^x	107.1 (8)	Ga3^xi—Q2—La	112.2 (5)
Q3—Ta—Q3^x	86.0 (5)	La^xiv—Q2—La	104.5 (4)
Q3^vii—Ta—Ga3^xi	31.8 (3)	Ga3^xiv—Q3—Ta	113.6 (5)
Q3^viii—Ta—Ga3^xi	87.4 (3)	Ga3^xiv—Q3—Ga1	113.6 (5)
Q3^ix—Ta—Ga3^xi	113.7 (3)	Ta—Q3—Ga1	0.0
Q3^i—Ta—Ga3^xi	54.3 (4)	Ga3^xiv—Q3—La	137.1 (6)
Q3—Ta—Ga3^xi	97.8 (4)	Ta—Q3—La	104.9 (4)
Q3^x—Ta—Ga3^xi	160.1 (4)	Ga1—Q3—La	104.9 (4)

Symmetry codes: (i) x−y, −y, −z; (ii) −y−1, x−y, z; (iii) −x−1, −x+y, −z; (iv) y−1, x, −z; (v) x, y, z+1; (vi) y, x+1, −z−1; (vii) y, x, −z; (viii) −x, −x+y, −z; (ix) −y, x−y, z; (x) −x+y, −x, z; (xi) −x+y−1, −x−1, z+1; (xii) x+1, y, z+1; (xiii) y, x+1, −z; (xiv) −x+y−1, −x−1, z; (xv) x+1, y, z; (xvi) −x+y−1, −x−1, z−1; (xvii) x, y, z−1; (xviii) −y−1, x−y, z−1; (xix) y−1, x, −z−1; (xx) −x−1, −x+y, −z−1; (xxi) x−1, y, z; (xxii) x−1, y, z−1; (xxiii) −x+y−1, −x, z.

(6.64cad4)

Crystal data

Ga5.54La3O14Ta0.46	V = 287.0 Å^3
Mr = 1110.22	Z = 1
?, ?	F(000) = 488
a = 8.089 Å	Dx = 6.424 Mg m^−3
b = 8.089 Å	Mo Kα radiation, λ = 0.71073 Å
c = 5.064 Å	µ = 28.13 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.070
Graphite monochromator	θmax = 32.0°, θmin = 2.9°
1685 measured reflections	h = −12→12
427 independent reflections	k = −10→10
424 reflections with I > 2σ(I)	l = −4→4

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.039	(Δ/σ)max = 0.763
wR(F^2) = 0.108	Δρmax = 1.70 e Å^−3
S = 1.02	Δρmin = −1.41 e Å^−3
427 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
28 parameters	Extinction coefficient: 0.153 (14)
0 restraints	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: −0.08 (5)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La	−0.42909 (11)	0.0000	0.0000	0.0142 (4)
Ga1	0.0000	0.0000	0.0000	0.0145 (6)	0.50
Ta	0.0000	0.0000	0.0000	0.0145 (6)	0.50
Ga2	−0.6667	−0.3333	0.4706 (7)	0.0127 (7)
Ga3	−0.7650 (2)	0.0000	−0.5000	0.0156 (6)
O1	−0.3333	0.3333	0.168 (4)	0.019 (3)*
O2	−0.4562 (15)	−0.3047 (16)	0.296 (3)	0.026 (2)*
O3	−0.2207 (14)	−0.0734 (15)	−0.244 (2)	0.020 (2)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La	0.0163 (4)	0.0141 (5)	0.0115 (9)	0.0070 (2)	0.00010 (18)	0.0002 (4)
Ga1	0.0162 (6)	0.0162 (6)	0.0111 (18)	0.0081 (3)	0.000	0.000
Ta	0.0162 (6)	0.0162 (6)	0.0111 (18)	0.0081 (3)	0.000	0.000
Ga2	0.0190 (8)	0.0190 (8)	0.000 (2)	0.0095 (4)	0.000	0.000
Ga3	0.0160 (7)	0.0188 (9)	0.0129 (19)	0.0094 (4)	0.0023 (3)	0.0047 (7)

Geometric parameters (Å, º)

La—O3^i	2.392 (9)	Ta—Ga3^xi	3.1662 (11)
La—O3	2.392 (9)	Ta—Ga3^xii	3.1662 (11)
La—O2^ii	2.398 (14)	Ta—Ga3^xiii	3.1662 (11)
La—O2^iii	2.398 (14)	Ta—Ga3^v	3.1662 (11)
La—O1^iv	2.551 (7)	Ta—Ga3^xiv	3.1662 (11)
La—O1	2.551 (7)	Ga2—O2^x	1.826 (12)
La—O2	2.800 (11)	Ga2—O2^ii	1.826 (12)
La—O2^i	2.800 (11)	Ga2—O2	1.826 (12)
La—Ga2	3.385 (2)	Ga2—O1^xv	1.83 (2)
La—Ga2^v	3.385 (2)	Ga2—La^iv	3.385 (2)
La—Ga1	3.4710 (9)	Ga2—La^x	3.385 (2)
La—Ta	3.4710 (9)	Ga2—La^xi	3.601 (3)
Ga1—O3^vi	2.002 (10)	Ga2—La^xv	3.601 (3)
Ga1—O3^vii	2.002 (10)	Ga2—La^xvi	3.601 (3)
Ga1—O3	2.002 (10)	Ga3—O3^ii	1.803 (10)
Ga1—O3^i	2.002 (10)	Ga3—O3^xvii	1.803 (10)
Ga1—O3^viii	2.002 (10)	Ga3—O2^xviii	1.890 (13)
Ga1—O3^ix	2.002 (10)	Ga3—O2^iii	1.890 (13)
Ga1—La^vi	3.4710 (9)	Ga3—Ta^xix	3.1662 (11)
Ga1—La^ix	3.4710 (9)	Ga3—Ta^xx	3.1662 (11)
Ta—O3^vi	2.002 (10)	O1—Ga2^xxi	1.83 (2)
Ta—O3^vii	2.002 (10)	O1—La^xxii	2.551 (7)
Ta—O3	2.002 (10)	O1—La^v	2.551 (7)
Ta—O3^i	2.002 (10)	O2—Ga3^xi	1.890 (13)
Ta—O3^viii	2.002 (10)	O2—La^x	2.398 (14)
Ta—O3^ix	2.002 (10)	O3—Ga3^x	1.803 (10)
Ta—Ga3^x	3.1662 (11)
O3^i—La—O3	68.1 (5)	O3^vi—Ta—Ga3^xi	31.7 (3)
O3^i—La—O2^ii	107.7 (4)	O3^vii—Ta—Ga3^xi	113.8 (3)
O3—La—O2^ii	139.5 (4)	O3—Ta—Ga3^xi	97.9 (3)
O3^i—La—O2^iii	139.5 (4)	O3^i—Ta—Ga3^xi	54.3 (3)
O3—La—O2^iii	107.7 (4)	O3^viii—Ta—Ga3^xi	87.3 (3)
O2^ii—La—O2^iii	100.1 (6)	O3^ix—Ta—Ga3^xi	160.1 (3)
O3^i—La—O1^iv	123.7 (3)	Ga3^x—Ta—Ga3^xi	106.21 (6)
O3—La—O1^iv	79.5 (3)	O3^vi—Ta—Ga3^xii	54.3 (3)
O2^ii—La—O1^iv	70.1 (5)	O3^vii—Ta—Ga3^xii	97.9 (3)
O2^iii—La—O1^iv	93.0 (4)	O3—Ta—Ga3^xii	160.1 (3)
O3^i—La—O1	79.5 (3)	O3^i—Ta—Ga3^xii	87.3 (3)
O3—La—O1	123.7 (3)	O3^viii—Ta—Ga3^xii	31.7 (3)
O2^ii—La—O1	93.0 (4)	O3^ix—Ta—Ga3^xii	113.8 (3)
O2^iii—La—O1	70.1 (5)	Ga3^x—Ta—Ga3^xii	145.06 (2)
O1^iv—La—O1	154.01 (9)	Ga3^xi—Ta—Ga3^xii	62.66 (4)
O3^i—La—O2	65.6 (4)	O3^vi—Ta—Ga3^xiii	113.8 (3)
O3—La—O2	79.2 (4)	O3^vii—Ta—Ga3^xiii	31.7 (3)
O2^ii—La—O2	63.9 (5)	O3—Ta—Ga3^xiii	87.3 (3)
O2^iii—La—O2	154.88 (18)	O3^i—Ta—Ga3^xiii	160.1 (3)
O1^iv—La—O2	64.0 (5)	O3^viii—Ta—Ga3^xiii	97.9 (3)
O1—La—O2	126.9 (5)	O3^ix—Ta—Ga3^xiii	54.3 (3)
O3^i—La—O2^i	79.2 (4)	Ga3^x—Ta—Ga3^xiii	62.66 (4)
O3—La—O2^i	65.6 (4)	Ga3^xi—Ta—Ga3^xiii	145.06 (2)
O2^ii—La—O2^i	154.88 (18)	Ga3^xii—Ta—Ga3^xiii	106.21 (6)
O2^iii—La—O2^i	63.9 (5)	O3^vi—Ta—Ga3^v	87.3 (3)
O1^iv—La—O2^i	126.9 (5)	O3^vii—Ta—Ga3^v	160.1 (3)
O1—La—O2^i	64.0 (5)	O3—Ta—Ga3^v	113.8 (3)
O2—La—O2^i	137.6 (4)	O3^i—Ta—Ga3^v	31.7 (3)
O3^i—La—Ga2	85.7 (3)	O3^viii—Ta—Ga3^v	54.3 (3)
O3—La—Ga2	110.8 (3)	O3^ix—Ta—Ga3^v	97.9 (3)
O2^ii—La—Ga2	31.3 (3)	Ga3^x—Ta—Ga3^v	145.06 (2)
O2^iii—La—Ga2	129.6 (3)	Ga3^xi—Ta—Ga3^v	62.66 (4)
O1^iv—La—Ga2	64.2 (5)	Ga3^xii—Ta—Ga3^v	62.66 (4)
O1—La—Ga2	111.0 (4)	Ga3^xiii—Ta—Ga3^v	145.06 (2)
O2—La—Ga2	32.6 (2)	O3^vi—Ta—Ga3^xiv	160.1 (3)
O2^i—La—Ga2	164.7 (3)	O3^vii—Ta—Ga3^xiv	87.3 (3)
O3^i—La—Ga2^v	110.8 (3)	O3—Ta—Ga3^xiv	54.3 (3)
O3—La—Ga2^v	85.7 (3)	O3^i—Ta—Ga3^xiv	97.9 (3)
O2^ii—La—Ga2^v	129.6 (3)	O3^viii—Ta—Ga3^xiv	113.8 (3)
O2^iii—La—Ga2^v	31.3 (3)	O3^ix—Ta—Ga3^xiv	31.7 (3)
O1^iv—La—Ga2^v	111.0 (4)	Ga3^x—Ta—Ga3^xiv	62.66 (4)
O1—La—Ga2^v	64.2 (5)	Ga3^xi—Ta—Ga3^xiv	145.06 (2)
O2—La—Ga2^v	164.7 (3)	Ga3^xii—Ta—Ga3^xiv	145.06 (2)
O2^i—La—Ga2^v	32.6 (2)	Ga3^xiii—Ta—Ga3^xiv	62.66 (4)
Ga2—La—Ga2^v	160.49 (3)	Ga3^v—Ta—Ga3^xiv	106.20 (6)
O3^i—La—Ga1	34.0 (3)	O2^x—Ga2—O2^ii	98.6 (6)
O3—La—Ga1	34.0 (3)	O2^x—Ga2—O2	98.6 (6)
O2^ii—La—Ga1	130.0 (3)	O2^ii—Ga2—O2	98.6 (6)
O2^iii—La—Ga1	130.0 (3)	O2^x—Ga2—O1^xv	118.9 (5)
O1^iv—La—Ga1	102.99 (4)	O2^ii—Ga2—O1^xv	118.9 (5)
O1—La—Ga1	103.00 (4)	O2—Ga2—O1^xv	118.9 (5)
O2—La—Ga1	68.8 (2)	O2^x—Ga2—La^iv	43.0 (4)
O2^i—La—Ga1	68.8 (2)	O2^ii—Ga2—La^iv	55.8 (4)
Ga2—La—Ga1	99.754 (17)	O2—Ga2—La^iv	105.9 (5)
Ga2^v—La—Ga1	99.755 (17)	O1^xv—Ga2—La^iv	134.75 (4)
O3^i—La—Ta	34.0 (3)	O2^x—Ga2—La^x	55.8 (4)
O3—La—Ta	34.0 (3)	O2^ii—Ga2—La^x	105.9 (5)
O2^ii—La—Ta	130.0 (3)	O2—Ga2—La^x	43.0 (4)
O2^iii—La—Ta	130.0 (3)	O1^xv—Ga2—La^x	134.74 (4)
O1^iv—La—Ta	102.99 (4)	La^iv—Ga2—La^x	75.92 (6)
O1—La—Ta	103.00 (4)	O2^x—Ga2—La	105.9 (5)
O2—La—Ta	68.8 (2)	O2^ii—Ga2—La	43.0 (4)
O2^i—La—Ta	68.8 (2)	O2—Ga2—La	55.8 (4)
Ga2—La—Ta	99.754 (17)	O1^xv—Ga2—La	134.74 (4)
Ga2^v—La—Ta	99.755 (17)	La^iv—Ga2—La	75.92 (6)
Ga1—La—Ta	0.0	La^x—Ga2—La	75.92 (6)
O3^vi—Ga1—O3^vii	83.9 (6)	O2^x—Ga2—La^xi	98.6 (5)
O3^vi—Ga1—O3	107.1 (6)	O2^ii—Ga2—La^xi	159.5 (5)
O3^vii—Ga1—O3	85.9 (4)	O2—Ga2—La^xi	89.5 (4)
O3^vi—Ga1—O3^i	85.9 (4)	O1^xv—Ga2—La^xi	41.89 (4)
O3^vii—Ga1—O3^i	162.8 (6)	La^iv—Ga2—La^xi	139.567 (7)
O3—Ga1—O3^i	83.9 (6)	La^x—Ga2—La^xi	92.856 (7)
O3^vi—Ga1—O3^viii	85.9 (4)	La—Ga2—La^xi	139.566 (7)
O3^vii—Ga1—O3^viii	107.1 (6)	O2^x—Ga2—La^xv	89.5 (4)
O3—Ga1—O3^viii	162.8 (6)	O2^ii—Ga2—La^xv	98.6 (5)
O3^i—Ga1—O3^viii	85.9 (4)	O2—Ga2—La^xv	159.5 (5)
O3^vi—Ga1—O3^ix	162.8 (6)	O1^xv—Ga2—La^xv	41.89 (4)
O3^vii—Ga1—O3^ix	85.9 (4)	La^iv—Ga2—La^xv	92.855 (7)
O3—Ga1—O3^ix	85.9 (4)	La^x—Ga2—La^xv	139.567 (7)
O3^i—Ga1—O3^ix	107.1 (6)	La—Ga2—La^xv	139.566 (7)
O3^viii—Ga1—O3^ix	83.9 (6)	La^xi—Ga2—La^xv	70.65 (6)
O3^vi—Ga1—La^vi	42.0 (3)	O2^x—Ga2—La^xvi	159.5 (5)
O3^vii—Ga1—La^vi	42.0 (3)	O2^ii—Ga2—La^xvi	89.5 (4)
O3—Ga1—La^vi	98.6 (3)	O2—Ga2—La^xvi	98.6 (5)
O3^i—Ga1—La^vi	126.5 (3)	O1^xv—Ga2—La^xvi	41.89 (4)
O3^viii—Ga1—La^vi	98.6 (3)	La^iv—Ga2—La^xvi	139.566 (7)
O3^ix—Ga1—La^vi	126.5 (3)	La^x—Ga2—La^xvi	139.566 (7)
O3^vi—Ga1—La	98.6 (3)	La—Ga2—La^xvi	92.855 (7)
O3^vii—Ga1—La	126.5 (3)	La^xi—Ga2—La^xvi	70.65 (6)
O3—Ga1—La	42.0 (3)	La^xv—Ga2—La^xvi	70.65 (6)
O3^i—Ga1—La	42.0 (3)	O3^ii—Ga3—O3^xvii	133.5 (6)
O3^viii—Ga1—La	126.5 (3)	O3^ii—Ga3—O2^xviii	108.4 (5)
O3^ix—Ga1—La	98.6 (3)	O3^xvii—Ga3—O2^xviii	100.1 (6)
La^vi—Ga1—La	120.0	O3^ii—Ga3—O2^iii	100.1 (6)
O3^vi—Ga1—La^ix	126.5 (3)	O3^xvii—Ga3—O2^iii	108.4 (5)
O3^vii—Ga1—La^ix	98.6 (3)	O2^xviii—Ga3—O2^iii	103.0 (7)
O3—Ga1—La^ix	126.5 (3)	O3^ii—Ga3—Ta^xix	109.8 (3)
O3^i—Ga1—La^ix	98.6 (3)	O3^xvii—Ga3—Ta^xix	35.7 (3)
O3^viii—Ga1—La^ix	42.0 (3)	O2^xviii—Ga3—Ta^xix	86.4 (4)
O3^ix—Ga1—La^ix	42.0 (3)	O2^iii—Ga3—Ta^xix	144.1 (4)
La^vi—Ga1—La^ix	120.0	O3^ii—Ga3—Ta^xx	35.7 (3)
La—Ga1—La^ix	120.0	O3^xvii—Ga3—Ta^xx	109.8 (3)
O3^vi—Ta—O3^vii	83.9 (6)	O2^xviii—Ga3—Ta^xx	144.1 (4)
O3^vi—Ta—O3	107.1 (6)	O2^iii—Ga3—Ta^xx	86.4 (4)
O3^vii—Ta—O3	85.9 (4)	Ta^xix—Ga3—Ta^xx	106.20 (6)
O3^vi—Ta—O3^i	85.9 (4)	Ga2^xxi—O1—La	109.5 (5)
O3^vii—Ta—O3^i	162.8 (6)	Ga2^xxi—O1—La^xxii	109.5 (5)
O3—Ta—O3^i	83.9 (6)	La—O1—La^xxii	109.5 (5)
O3^vi—Ta—O3^viii	85.9 (4)	Ga2^xxi—O1—La^v	109.5 (5)
O3^vii—Ta—O3^viii	107.1 (6)	La—O1—La^v	109.5 (5)
O3—Ta—O3^viii	162.8 (6)	La^xxii—O1—La^v	109.5 (5)
O3^i—Ta—O3^viii	85.9 (4)	Ga2—O2—Ga3^xi	117.2 (9)
O3^vi—Ta—O3^ix	162.8 (6)	Ga2—O2—La^x	105.7 (5)
O3^vii—Ta—O3^ix	85.9 (4)	Ga3^xi—O2—La^x	119.5 (5)
O3—Ta—O3^ix	85.9 (4)	Ga2—O2—La	91.6 (4)
O3^i—Ta—O3^ix	107.1 (6)	Ga3^xi—O2—La	112.6 (5)
O3^viii—Ta—O3^ix	83.9 (6)	La^x—O2—La	106.2 (5)
O3^vi—Ta—Ga3^x	97.9 (3)	Ga3^x—O3—Ta	112.5 (4)
O3^vii—Ta—Ga3^x	54.3 (3)	Ga3^x—O3—Ga1	112.5 (4)
O3—Ta—Ga3^x	31.7 (3)	Ta—O3—Ga1	0.0
O3^i—Ta—Ga3^x	113.8 (3)	Ga3^x—O3—La	138.9 (5)
O3^viii—Ta—Ga3^x	160.1 (3)	Ta—O3—La	104.0 (5)
O3^ix—Ta—Ga3^x	87.3 (3)	Ga1—O3—La	104.0 (5)

Symmetry codes: (i) x−y, −y, −z; (ii) −y−1, x−y, z; (iii) −x−1, −x+y, −z; (iv) y−1, x, −z; (v) y, x+1, −z; (vi) y, x, −z; (vii) −y, x−y, z; (viii) −x, −x+y, −z; (ix) −x+y, −x, z; (x) −x+y−1, −x−1, z; (xi) −x+y−1, −x−1, z+1; (xii) x+1, y, z+1; (xiii) x+1, y, z; (xiv) y, x+1, −z−1; (xv) y−1, x, −z+1; (xvi) x, y, z+1; (xvii) −x−1, −x+y, −z−1; (xviii) −y−1, x−y, z−1; (xix) x−1, y, z−1; (xx) x−1, y, z; (xxi) y, x+1, −z+1; (xxii) −x+y−1, −x, z.

(6.8cad4)

Crystal data

Ga5.50La3Nb0.50O14	V = 286.9 Å^3
Mr = 1070.65	Z = 1
?, ?	F(000) = 474
a = 8.084 Å	Dx = 6.197 Mg m^−3
b = 8.084 Å	Mo Kα radiation, λ = 0.71070 Å
c = 5.069 Å	µ = 24.16 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.042
Graphite monochromator	θmax = 32.0°, θmin = 2.9°
1608 measured reflections	h = −12→12
408 independent reflections	k = −11→11
405 reflections with I > 2σ(I)	l = −4→4

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.075P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.031	(Δ/σ)max < 0.001
wR(F^2) = 0.080	Δρmax = 1.26 e Å^−3
S = 1.00	Δρmin = −1.04 e Å^−3
408 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
39 parameters	Extinction coefficient: 0.108 (9)
0 restraints	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.01 (7)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La	−0.42868 (8)	0.0000	0.0000	0.0238 (3)
Ga1	0.0000	0.0000	0.0000	0.0232 (7)	0.50
Ga2	−0.6667	−0.3333	0.4709 (6)	0.0220 (6)
Ga3	−0.76526 (18)	0.0000	−0.5000	0.0253 (5)
Nb	0.0000	0.0000	0.0000	0.0232 (7)	0.50
O1	−0.3333	0.3333	0.184 (4)	0.031 (4)
O2	−0.4574 (10)	−0.3072 (12)	0.308 (3)	0.034 (3)
O3	−0.7820 (11)	0.1458 (9)	0.241 (3)	0.035 (3)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La	0.0219 (3)	0.0189 (3)	0.0297 (8)	0.00944 (17)	−0.00045 (15)	−0.0009 (3)
Ga1	0.0229 (7)	0.0229 (7)	0.024 (3)	0.0115 (3)	0.000	0.000
Ga2	0.0218 (5)	0.0218 (5)	0.022 (2)	0.0109 (3)	0.000	0.000
Ga3	0.0208 (5)	0.0231 (6)	0.0327 (18)	0.0115 (3)	0.0025 (3)	0.0050 (5)
Nb	0.0229 (7)	0.0229 (7)	0.024 (3)	0.0115 (3)	0.000	0.000
O1	0.032 (4)	0.032 (4)	0.030 (16)	0.016 (2)	0.000	0.000
O2	0.019 (3)	0.046 (4)	0.036 (10)	0.016 (3)	−0.007 (3)	−0.024 (5)
O3	0.030 (3)	0.021 (3)	0.044 (11)	0.006 (3)	−0.013 (4)	0.008 (3)

Bond lengths (Å)

La—O3^i	2.393 (8)	O2—O1^xv	3.03 (2)
La—O3^ii	2.393 (8)	O2—O3^ii	3.379 (17)
La—O2^iii	2.424 (9)	O2—O1^xlix	3.571 (9)
La—O2^iv	2.424 (9)	O2—Ga2^xlviii	3.691 (9)
La—O1^v	2.579 (8)	O2—O2^xi	3.76 (2)
La—O1	2.579 (8)	O2—O3^xlix	3.866 (11)
La—O2	2.843 (11)	O2—La^xviii	3.969 (13)
La—O2^vi	2.843 (11)	O2—Ga3^v	4.202 (9)
La—Ga2	3.388 (2)	O2—Ga3^vii	4.197 (8)
La—Ga2^vii	3.388 (2)	O2—La^xxxii	4.237 (11)
La—Ga1	3.4654 (7)	O2—O3^xv	4.236 (14)
La—Nb	3.4654 (7)	O2—La^v	4.282 (8)
Ga1—O3^viii	1.977 (9)	O2—Ga3^xxxii	4.415 (7)
Ga1—O3^ii	1.977 (9)	O2—Ga3^viii	4.393 (13)
Ga1—O3^ix	1.977 (9)	O2—O3^l	4.436 (14)
Ga1—O3^vii	1.977 (9)	O2—O3^v	4.522 (13)
Ga1—O3^x	1.977 (9)	O2—Ga2^xix	4.533 (13)
Ga1—O3^i	1.977 (9)	O2—O2^xvii	4.526 (12)
Ga1—La^xi	3.4654 (7)	O2—O2^xxxi	4.526 (12)
Ga1—La^xii	3.4654 (7)	O2—La^xi	4.550 (7)
Ga1—O2^xi	3.618 (9)	O2—O3^x	4.709 (13)
Ga1—O2^xiii	3.618 (9)	O2—O2^xvi	4.722 (17)
Ga1—O2^xiv	3.618 (9)	O2—Ga1^xxxii	4.792 (10)
Ga2—O2^viii	1.798 (9)	O2—Nb^xxxii	4.792 (10)
Ga2—O2	1.798 (9)	O2—O3^ix	4.831 (11)
Ga2—O2^iii	1.798 (9)	O2—Ga2^xxix	4.887 (8)
Ga2—O1^xv	1.75 (2)	O2—Ga3^li	4.957 (9)
Ga2—O1^v	3.32 (2)	O2—Ga3^xxvii	4.953 (7)
Ga2—La^viii	3.388 (2)	O2—O2^xix	5.0690
Ga2—La^v	3.388 (2)	O2—O2^xxxii	5.0690
Ga2—O3^xvi	3.477 (8)	O2—O3^xvi	5.135 (11)
Ga2—O3^xv	3.477 (8)	O2—O2^ii	5.141 (16)
Ga2—O3^xvii	3.478 (8)	O2—O2^iv	5.141 (16)
Ga2—La^xviii	3.602 (2)	O2—O3^xxix	5.132 (12)
Ga3—O3^vi	1.815 (10)	O2—O2^lii	5.236 (15)
Ga3—O3^xix	1.815 (10)	O2—O2^liii	5.236 (15)
Ga3—O2^xx	1.865 (9)	O2—La^xv	5.311 (10)
Ga3—O2^iv	1.865 (9)	O2—Ga2^xi	5.286 (10)
Ga3—O3^xxi	2.572 (11)	O2—O2^vi	5.31 (2)
Ga3—O3^xxii	2.572 (11)	O2—O3^iii	5.323 (11)
Ga3—Nb^xxiii	3.1662 (9)	O2—Ga1^liv	5.336 (8)
Ga3—Nb^xxiv	3.1662 (9)	O2—Nb^liv	5.336 (8)
Ga3—O1^xix	3.550 (10)	O2—O3^vi	5.372 (14)
Ga3—O1^v	3.550 (10)	O2—O3^xl	5.377 (10)
Ga3—O3^xxv	3.650 (8)	O2—O3^vii	5.370 (13)
Ga3—O3^xxvi	3.650 (8)	O2—O3	5.480 (11)
Nb—O3^viii	1.977 (9)	O2—O3^xlvii	5.513 (16)
Nb—O3^ii	1.977 (9)	O2—O3^xviii	5.508 (18)
Nb—O3^ix	1.977 (9)	O2—La^xlviii	5.530 (10)
Nb—O3^vii	1.977 (9)	O2—O1^li	5.67 (2)
Nb—O3^x	1.977 (9)	O2—O2^xiii	5.654 (13)
Nb—O3^i	1.977 (9)	O2—O2^xii	5.654 (13)
Nb—Ga3^viii	3.1662 (9)	O2—O2^lv	5.774 (6)
Nb—Ga3^xviii	3.1662 (9)	O2—O2^xx	5.774 (6)
Nb—Ga3^xxvii	3.1662 (9)	O2—O2^xviii	5.774 (6)
Nb—Ga3^ix	3.1662 (9)	O2—O2^lvi	5.774 (6)
Nb—Ga3^vii	3.1662 (9)	O2—O2^lvii	5.776 (15)
Nb—Ga3^xxviii	3.1662 (9)	O2—O2^lviii	5.776 (15)
O1—Ga2^xxix	1.75 (2)	O2—La^xlix	5.929 (8)
O1—La^vii	2.579 (8)	O2—O3^li	6.099 (17)
O1—La^xxx	2.579 (8)	O2—O3^xliv	6.106 (19)
O1—O2^iv	2.96 (2)	O2—O2^lix	6.090 (14)
O1—O2^vi	2.96 (2)	O2—O2^lx	6.090 (14)
O1—O2^vii	2.96 (2)	O2—O3^lv	6.102 (17)
O1—O2^xvi	3.03 (2)	O2—O1^liv	6.197 (7)
O1—O2^xxxi	3.03 (2)	O2—O3^liii	6.315 (12)
O1—O2^xxix	3.03 (2)	O3—Ga3^xxxii	1.815 (10)
O1—O3^i	3.168 (8)	O3—Nb^xxiv	1.977 (9)
O1—O3	3.168 (8)	O3—Ga1^xxiv	1.977 (9)
O1—O3^xxx	3.168 (8)	O3—La^xxx	2.393 (8)
O1—Ga2^vii	3.32 (2)	O3—Ga3^xxi	2.572 (11)
O1—Ga3^vii	3.550 (10)	O3—O3^xxi	2.64 (2)
O1—Ga3^xxxii	3.550 (10)	O3—O3^xl	2.693 (13)
O1—Ga3^xxxiii	3.550 (10)	O3—O3^xlvi	2.693 (13)
O1—O2^iii	3.571 (9)	O3—O2^xxx	2.853 (12)
O1—O2^xii	3.571 (9)	O3—O3^xxxvi	2.82 (3)
O1—O2^xxxiv	3.571 (9)	O3—O2^iii	2.844 (10)
O1—O3^xxi	4.395 (13)	O3—O2^xxxi	2.986 (14)
O1—O3^ii	4.395 (13)	O3—O3^vi	3.18 (2)
O1—O3^xxxv	4.395 (13)	O3—O2^iv	3.379 (17)
O1—Ga3^xxviii	4.699 (16)	O3—O3^xvi	3.33 (2)
O1—Ga3^xxx	4.699 (16)	O3—Ga2^xxix	3.477 (8)
O1—Ga1^xxiv	4.760 (4)	O3—Ga3^lxi	3.650 (8)
O1—Nb^xxiv	4.760 (4)	O3—O2^xxxiv	3.866 (11)
O1—Ga1^xxxiv	4.760 (4)	O3—O3^xxv	3.908 (18)
O1—Nb^xxxiv	4.760 (4)	O3—Ga2^xxxiv	4.004 (8)
O1—O2	4.798 (9)	O3—O3^lxii	4.03 (2)
O1—O2^i	4.798 (9)	O3—Nb^lxiii	4.151 (13)
O1—O2^xxx	4.798 (9)	O3—Ga1^lxiii	4.151 (13)
O1—La^xxxii	4.782 (19)	O3—O2^xxix	4.236 (14)
O1—La^xxix	4.782 (19)	O3—La^v	4.240 (8)
O1—La^xxxiii	4.782 (19)	O3—Ga3^lxiv	4.358 (11)
O1—O3^xxxvi	4.812 (18)	O3—O1^xxi	4.395 (13)
O1—O3^xxxvii	4.812 (18)	O3—La^xxxiii	4.364 (12)
O1—O3^xvii	4.812 (18)	O3—O2^lxv	4.436 (14)
O1—O3^vi	4.913 (15)	O3—O2^vii	4.522 (13)
O1—O3^iv	4.913 (15)	O3—O2^lxvi	4.709 (13)
O1—O3^vii	4.913 (15)	O3—La^xxi	4.742 (8)
O1—Ga2^xxxiv	4.888 (6)	O3—Ga2^vii	4.793 (12)
O1—Ga2^xxxviii	4.888 (6)	O3—O1^xxxvi	4.812 (18)
O1—O1^xxi	5.028 (16)	O3—O2^xxiv	4.831 (11)
O1—O1^v	5.028 (16)	O3—O1^v	4.913 (15)
O1—O1^vii	5.028 (16)	O3—La^xxiv	4.903 (8)
O1—O1^xix	5.0690	O3—Ga3^xxxiii	4.921 (7)
O1—O1^xxxii	5.0690	O3—Ga3^xl	5.069 (10)
O1—Ga3^xviii	5.286 (7)	O3—O3^xxxii	5.0690
O1—Ga3^xxi	5.286 (7)	O3—O3^xix	5.0690
O1—Ga3^xxxix	5.286 (7)	O3—O2^xvi	5.135 (11)
O1—O3^xvi	5.289 (14)	O3—O2^xv	5.132 (12)
O1—O3^xxxi	5.289 (14)	O3—La^xxxii	5.266 (10)
O1—O3^xxix	5.289 (14)	O3—O2^viii	5.323 (11)
O1—O3^ix	5.385 (9)	O3—O1^xv	5.289 (14)
O1—O3^xl	5.385 (9)	O3—O2^vi	5.372 (14)
O1—O3^xli	5.385 (9)	O3—O2^xlvi	5.377 (10)
O1—O2^xx	5.67 (2)	O3—O2^v	5.370 (13)
O1—O2^xlii	5.67 (2)	O3—O1^xxiv	5.385 (9)
O1—O2^xliii	5.67 (2)	O3—Ga2^xliii	5.468 (10)
O1—O1^xxxvi	5.66 (2)	O3—O3^i	5.465 (14)
O1—O1^xv	5.66 (2)	O3—O3^xxx	5.466 (14)
O1—O1^xxix	5.66 (2)	O3—O2^xlv	5.513 (16)
O1—O3^xliv	5.73 (2)	O3—O2^xx	5.508 (18)
O1—O3^xix	5.73 (2)	O3—Ga2^xxxvi	5.572 (10)
O1—O3^xlv	5.73 (2)	O3—La^vii	5.616 (8)
O1—O3^viii	5.815 (7)	O3—La^xv	5.595 (9)
O1—O3^xlvi	5.815 (7)	O3—O1^xxxii	5.73 (2)
O1—O3^xxxviii	5.815 (7)	O3—O3^xxii	5.740 (6)
O1—La^v	5.888 (4)	O3—O3^lxi	5.740 (6)
O1—La^xii	5.888 (4)	O3—O3^xxvi	5.740 (6)
O1—La^xxxiv	5.888 (4)	O3—O3^lxvii	5.740 (6)
O1—O2^viii	6.197 (7)	O3—O1^liv	5.815 (7)
O1—O2^xxxviii	6.197 (7)	O3—La^xxxvi	5.984 (12)
O1—O2^xlvi	6.197 (7)	O3—O2^xliii	6.099 (17)
O1—O3^xlvii	6.22 (2)	O3—La^xxxiv	6.132 (7)
O2—Ga3^xviii	1.865 (9)	O3—O2^xxxiii	6.106 (19)
O2—La^viii	2.424 (9)	O3—La^lxiii	6.113 (11)
O2—O2^viii	2.765 (12)	O3—O3^iv	6.156 (15)
O2—O2^iii	2.765 (12)	O3—O3^ii	6.156 (15)
O2—O3^i	2.853 (12)	O3—O2^lvi	6.102 (17)
O2—O3^viii	2.844 (10)	O3—O1^xix	6.22 (2)
O2—O2^xlviii	2.87 (2)	O3—La^xl	6.231 (7)
O2—O1^v	2.96 (2)	O3—O3^xxxi	6.232 (13)
O2—O3^xvii	2.986 (14)

Symmetry codes: (i) −y, x−y+1, z; (ii) −x−1, −x+y−1, −z; (iii) −y−1, x−y, z; (iv) −x−1, −x+y, −z; (v) y−1, x, −z; (vi) x−y, −y, −z; (vii) y, x+1, −z; (viii) −x+y−1, −x−1, z; (ix) x+1, y, z; (x) x−y+1, −y, −z; (xi) y, x, −z; (xii) −x+y, −x, z; (xiii) −y, x−y, z; (xiv) −x, −x+y, −z; (xv) y−1, x, −z+1; (xvi) x−y, −y, −z+1; (xvii) −x−1, −x+y−1, −z+1; (xviii) −x+y−1, −x−1, z+1; (xix) x, y, z−1; (xx) −y−1, x−y, z−1; (xxi) y−1, x+1, −z; (xxii) −x+y−2, −x−1, z−1; (xxiii) x−1, y, z−1; (xxiv) x−1, y, z; (xxv) −x−2, −x+y−1, −z; (xxvi) −y−1, x−y+1, z−1; (xxvii) x+1, y, z+1; (xxviii) y, x+1, −z−1; (xxix) y, x+1, −z+1; (xxx) −x+y−1, −x, z; (xxxi) −x−1, −x+y, −z+1; (xxxii) x, y, z+1; (xxxiii) −x+y−1, −x, z+1; (xxxiv) x, y+1, z; (xxxv) x−y+1, −y+1, −z; (xxxvi) y−1, x+1, −z+1; (xxxvii) x−y+1, −y+1, −z+1; (xxxviii) x+1, y+1, z; (xxxix) x+1, y+1, z+1; (xl) −x+y−2, −x−1, z; (xli) −y, x−y+2, z; (xlii) −x+y, −x, z−1; (xliii) x, y+1, z−1; (xliv) −y, x−y+1, z−1; (xlv) −x+y−1, −x, z−1; (xlvi) −y−1, x−y+1, z; (xlvii) −y, x−y+1, z+1; (xlviii) y, x, −z+1; (xlix) x, y−1, z; (l) x−y+1, −y, −z+1; (li) x, y−1, z+1; (lii) x−y−1, −y−1, −z+1; (liii) x−y, −y−1, −z+1; (liv) x−1, y−1, z; (lv) −x+y−1, −x−1, z−1; (lvi) −y−1, x−y, z+1; (lvii) x−y−1, −y−1, −z; (lviii) x−y, −y−1, −z; (lix) −y−1, x−y−1, z; (lx) −x+y, −x−1, z; (lxi) −x+y−2, −x−1, z+1; (lxii) −x−2, −x+y−1, −z+1; (lxiii) x−1, y, z+1; (lxiv) y−1, x+1, −z−1; (lxv) x−y−1, −y, −z+1; (lxvi) x−y−1, −y, −z; (lxvii) −y−1, x−y+1, z+1.

(7.4d3)

Crystal data

Ga5.50La3Nb0.50O14	V = 285.8 Å^3
Mr = 1070.65	Z = 1
?, ?	F(000) = 474
a = 8.072 Å	Dx = 6.220 Mg m^−3
b = 8.072 Å	? radiation, λ = 0.55885 Å
c = 5.065 Å	µ = 14.12 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.000
Graphite monochromator	θmax = 24.6°, θmin = 4.0°
334 measured reflections	h = −11→11
334 independent reflections	k = −12→12
334 reflections with I > 2σ(I)	l = −3→3

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.032	(Δ/σ)max < 0.001
wR(F^2) = 0.100	Δρmax = 1.25 e Å^−3
S = 0.95	Δρmin = −1.04 e Å^−3
334 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
28 parameters	Extinction coefficient: 0.171 (18)
0 restraints	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.08 (7)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La1	0.42921 (9)	0.42921 (9)	0.0000	0.0097 (5)
Ga1	0.0000	0.0000	0.0000	0.0110 (12)	0.50
Nb	0.0000	0.0000	0.0000	0.0110 (12)	0.50
Ga2	0.6667	0.3333	−0.4715 (8)	0.0096 (12)
Ga3	0.23391 (17)	0.0000	−0.5000	0.0112 (8)
O1	0.6667	0.3333	0.199 (6)	0.015 (3)*
O2	0.1455 (14)	0.4509 (15)	0.313 (4)	0.028 (2)*
O3	0.2210 (9)	0.1443 (11)	0.231 (3)	0.0163 (16)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La1	0.0100 (4)	0.0100 (4)	0.0109 (14)	0.0063 (2)	−0.00062 (13)	0.00062 (13)
Ga1	0.0098 (7)	0.0098 (7)	0.014 (4)	0.0049 (3)	0.000	0.000
Nb	0.0098 (7)	0.0098 (7)	0.014 (4)	0.0049 (3)	0.000	0.000
Ga2	0.0090 (6)	0.0090 (6)	0.011 (4)	0.0045 (3)	0.000	0.000
Ga3	0.0086 (5)	0.0106 (7)	0.015 (3)	0.0053 (3)	0.0032 (3)	0.0063 (7)

Geometric parameters (Å, º)

La1—O3	2.370 (11)	Nb—Ga3^vi	3.1589 (8)
La1—O3^i	2.370 (11)	Nb—Ga3^viii	3.1589 (8)
La1—O2^ii	2.441 (16)	Nb—Ga3^i	3.1589 (8)
La1—O2^iii	2.441 (16)	Nb—Ga3^ix	3.1589 (8)
La1—O1	2.602 (11)	Nb—Ga3^x	3.1589 (8)
La1—O1^i	2.602 (11)	Ga2—O1^xi	1.67 (3)
La1—O2^i	2.860 (14)	Ga2—O2^xii	1.827 (14)
La1—O2	2.860 (14)	Ga2—O2^i	1.827 (14)
La1—Ga2^i	3.385 (3)	Ga2—O2^iii	1.827 (14)
La1—Ga2	3.385 (3)	Ga2—La1^xiii	3.385 (3)
La1—Nb	3.4646 (7)	Ga2—La1^xiv	3.385 (3)
La1—Ga1	3.4646 (7)	Ga2—La1^xv	3.595 (3)
Ga1—O3^iv	1.957 (11)	Ga2—La1^xvi	3.595 (3)
Ga1—O3^v	1.957 (11)	Ga2—La1^xi	3.595 (3)
Ga1—O3^i	1.957 (11)	Ga3—O2^i	1.814 (14)
Ga1—O3^vi	1.957 (11)	Ga3—O2^xvii	1.814 (14)
Ga1—O3^vii	1.957 (11)	Ga3—O3^xi	1.830 (14)
Ga1—O3	1.957 (11)	Ga3—O3^v	1.830 (14)
Ga1—La1^vii	3.4646 (7)	Ga3—Nb^xi	3.1589 (8)
Ga1—La1^vi	3.4646 (7)	O1—Ga2^viii	1.67 (3)
Nb—O3^iv	1.957 (11)	O1—La1^xiv	2.602 (11)
Nb—O3^v	1.957 (11)	O1—La1^xiii	2.602 (11)
Nb—O3^i	1.957 (11)	O2—Ga3^i	1.814 (14)
Nb—O3^vi	1.957 (11)	O2—Ga2^i	1.827 (14)
Nb—O3^vii	1.957 (11)	O2—La1^xviii	2.441 (16)
Nb—O3	1.957 (11)	O3—Ga3^viii	1.830 (14)
Nb—Ga3	3.1589 (8)
O3—La1—O3^i	65.7 (6)	O3^iv—Nb—Ga3^vi	32.2 (3)
O3—La1—O2^ii	108.0 (5)	O3^v—Nb—Ga3^vi	55.8 (3)
O3^i—La1—O2^ii	139.5 (4)	O3^i—Nb—Ga3^vi	88.4 (4)
O3—La1—O2^iii	139.5 (4)	O3^vi—Nb—Ga3^vi	96.4 (4)
O3^i—La1—O2^iii	108.0 (5)	O3^vii—Nb—Ga3^vi	113.3 (4)
O2^ii—La1—O2^iii	100.9 (7)	O3—Nb—Ga3^vi	158.3 (4)
O3—La1—O1	77.9 (3)	Ga3—Nb—Ga3^vi	62.35 (3)
O3^i—La1—O1	125.3 (3)	O3^iv—Nb—Ga3^viii	158.3 (4)
O2^ii—La1—O1	89.0 (5)	O3^v—Nb—Ga3^viii	96.4 (4)
O2^iii—La1—O1	74.8 (6)	O3^i—Nb—Ga3^viii	113.3 (4)
O3—La1—O1^i	125.3 (3)	O3^vi—Nb—Ga3^viii	55.8 (3)
O3^i—La1—O1^i	77.9 (3)	O3^vii—Nb—Ga3^viii	88.4 (4)
O2^ii—La1—O1^i	74.8 (6)	O3—Nb—Ga3^viii	32.2 (3)
O2^iii—La1—O1^i	89.0 (5)	Ga3—Nb—Ga3^viii	106.59 (4)
O1—La1—O1^i	154.63 (11)	Ga3^vi—Nb—Ga3^viii	145.222 (17)
O3—La1—O2^i	78.1 (4)	O3^iv—Nb—Ga3^i	113.3 (4)
O3^i—La1—O2^i	65.5 (4)	O3^v—Nb—Ga3^i	158.3 (4)
O2^ii—La1—O2^i	154.9 (2)	O3^i—Nb—Ga3^i	96.4 (4)
O2^iii—La1—O2^i	64.3 (5)	O3^vi—Nb—Ga3^i	88.4 (4)
O1—La1—O2^i	68.1 (6)	O3^vii—Nb—Ga3^i	32.2 (3)
O1^i—La1—O2^i	122.4 (7)	O3—Nb—Ga3^i	55.8 (3)
O3—La1—O2	65.5 (4)	Ga3—Nb—Ga3^i	145.222 (17)
O3^i—La1—O2	78.1 (4)	Ga3^vi—Nb—Ga3^i	145.222 (17)
O2^ii—La1—O2	64.3 (5)	Ga3^viii—Nb—Ga3^i	62.35 (3)
O2^iii—La1—O2	154.9 (2)	O3^iv—Nb—Ga3^ix	55.8 (3)
O1—La1—O2	122.4 (7)	O3^v—Nb—Ga3^ix	88.4 (4)
O1^i—La1—O2	68.1 (6)	O3^i—Nb—Ga3^ix	32.2 (3)
O2^i—La1—O2	136.6 (4)	O3^vi—Nb—Ga3^ix	158.3 (4)
O3—La1—Ga2^i	87.1 (3)	O3^vii—Nb—Ga3^ix	96.4 (4)
O3^i—La1—Ga2^i	109.5 (3)	O3—Nb—Ga3^ix	113.3 (4)
O2^ii—La1—Ga2^i	31.6 (3)	Ga3—Nb—Ga3^ix	62.35 (3)
O2^iii—La1—Ga2^i	129.6 (3)	Ga3^vi—Nb—Ga3^ix	62.35 (3)
O1—La1—Ga2^i	107.8 (5)	Ga3^viii—Nb—Ga3^ix	145.222 (17)
O1^i—La1—Ga2^i	67.6 (6)	Ga3^i—Nb—Ga3^ix	106.59 (4)
O2^i—La1—Ga2^i	165.1 (3)	O3^iv—Nb—Ga3^x	96.4 (4)
O2—La1—Ga2^i	32.7 (3)	O3^v—Nb—Ga3^x	113.3 (4)
O3—La1—Ga2	109.5 (3)	O3^i—Nb—Ga3^x	158.3 (4)
O3^i—La1—Ga2	87.1 (3)	O3^vi—Nb—Ga3^x	32.2 (3)
O2^ii—La1—Ga2	129.6 (3)	O3^vii—Nb—Ga3^x	55.8 (3)
O2^iii—La1—Ga2	31.6 (3)	O3—Nb—Ga3^x	88.4 (4)
O1—La1—Ga2	67.6 (6)	Ga3—Nb—Ga3^x	145.222 (17)
O1^i—La1—Ga2	107.8 (5)	Ga3^vi—Nb—Ga3^x	106.59 (4)
O2^i—La1—Ga2	32.7 (3)	Ga3^viii—Nb—Ga3^x	62.35 (3)
O2—La1—Ga2	165.1 (3)	Ga3^i—Nb—Ga3^x	62.35 (3)
Ga2^i—La1—Ga2	160.56 (3)	Ga3^ix—Nb—Ga3^x	145.222 (17)
O3—La1—Nb	32.9 (3)	O1^xi—Ga2—O2^xii	116.1 (6)
O3^i—La1—Nb	32.9 (3)	O1^xi—Ga2—O2^i	116.1 (6)
O2^ii—La1—Nb	129.6 (3)	O2^xii—Ga2—O2^i	102.1 (8)
O2^iii—La1—Nb	129.6 (3)	O1^xi—Ga2—O2^iii	116.1 (6)
O1—La1—Nb	102.68 (5)	O2^xii—Ga2—O2^iii	102.1 (8)
O1^i—La1—Nb	102.68 (6)	O2^i—Ga2—O2^iii	102.1 (8)
O2^i—La1—Nb	68.3 (2)	O1^xi—Ga2—La1^xiii	134.87 (5)
O2—La1—Nb	68.3 (2)	O2^xii—Ga2—La1^xiii	44.4 (5)
Ga2^i—La1—Nb	99.718 (15)	O2^i—Ga2—La1^xiii	108.5 (7)
Ga2—La1—Nb	99.718 (15)	O2^iii—Ga2—La1^xiii	57.7 (4)
O3—La1—Ga1	32.9 (3)	O1^xi—Ga2—La1^xiv	134.87 (5)
O3^i—La1—Ga1	32.9 (3)	O2^xii—Ga2—La1^xiv	57.7 (4)
O2^ii—La1—Ga1	129.6 (3)	O2^i—Ga2—La1^xiv	44.4 (5)
O2^iii—La1—Ga1	129.6 (3)	O2^iii—Ga2—La1^xiv	108.5 (7)
O1—La1—Ga1	102.68 (5)	La1^xiii—Ga2—La1^xiv	75.73 (7)
O1^i—La1—Ga1	102.68 (6)	O1^xi—Ga2—La1	134.87 (5)
O2^i—La1—Ga1	68.3 (2)	O2^xii—Ga2—La1	108.5 (7)
O2—La1—Ga1	68.3 (2)	O2^i—Ga2—La1	57.7 (4)
Ga2^i—La1—Ga1	99.718 (15)	O2^iii—Ga2—La1	44.4 (5)
Ga2—La1—Ga1	99.718 (15)	La1^xiii—Ga2—La1	75.73 (7)
Nb—La1—Ga1	0.0	La1^xiv—Ga2—La1	75.73 (7)
O3^iv—Ga1—O3^v	88.0 (6)	O1^xi—Ga2—La1^xv	41.87 (4)
O3^iv—Ga1—O3^i	88.0 (6)	O2^xii—Ga2—La1^xv	96.7 (6)
O3^v—Ga1—O3^i	88.0 (6)	O2^i—Ga2—La1^xv	87.0 (5)
O3^iv—Ga1—O3^vi	104.2 (6)	O2^iii—Ga2—La1^xv	156.8 (6)
O3^v—Ga1—O3^vi	82.2 (8)	La1^xiii—Ga2—La1^xv	139.628 (8)
O3^i—Ga1—O3^vi	164.0 (5)	La1^xiv—Ga2—La1^xv	92.998 (7)
O3^iv—Ga1—O3^vii	82.2 (8)	La1—Ga2—La1^xv	139.628 (8)
O3^v—Ga1—O3^vii	164.0 (5)	O1^xi—Ga2—La1^xvi	41.87 (4)
O3^i—Ga1—O3^vii	104.2 (6)	O2^xii—Ga2—La1^xvi	87.0 (5)
O3^vi—Ga1—O3^vii	88.0 (6)	O2^i—Ga2—La1^xvi	156.8 (6)
O3^iv—Ga1—O3	164.0 (5)	O2^iii—Ga2—La1^xvi	96.7 (6)
O3^v—Ga1—O3	104.2 (6)	La1^xiii—Ga2—La1^xvi	92.998 (7)
O3^i—Ga1—O3	82.2 (8)	La1^xiv—Ga2—La1^xvi	139.628 (8)
O3^vi—Ga1—O3	88.0 (6)	La1—Ga2—La1^xvi	139.628 (8)
O3^vii—Ga1—O3	88.0 (6)	La1^xv—Ga2—La1^xvi	70.62 (6)
O3^iv—Ga1—La1^vii	41.1 (4)	O1^xi—Ga2—La1^xi	41.87 (4)
O3^v—Ga1—La1^vii	127.9 (3)	O2^xii—Ga2—La1^xi	156.8 (6)
O3^i—Ga1—La1^vii	98.0 (2)	O2^i—Ga2—La1^xi	96.7 (6)
O3^vi—Ga1—La1^vii	98.0 (2)	O2^iii—Ga2—La1^xi	87.0 (5)
O3^vii—Ga1—La1^vii	41.1 (4)	La1^xiii—Ga2—La1^xi	139.628 (8)
O3—Ga1—La1^vii	127.9 (3)	La1^xiv—Ga2—La1^xi	139.628 (8)
O3^iv—Ga1—La1^vi	98.0 (2)	La1—Ga2—La1^xi	92.998 (7)
O3^v—Ga1—La1^vi	41.1 (4)	La1^xv—Ga2—La1^xi	70.62 (6)
O3^i—Ga1—La1^vi	127.9 (3)	La1^xvi—Ga2—La1^xi	70.62 (6)
O3^vi—Ga1—La1^vi	41.1 (4)	O2^i—Ga3—O2^xvii	100.2 (8)
O3^vii—Ga1—La1^vi	127.9 (3)	O2^i—Ga3—O3^xi	108.8 (6)
O3—Ga1—La1^vi	98.0 (2)	O2^xvii—Ga3—O3^xi	99.2 (7)
La1^vii—Ga1—La1^vi	120.0	O2^i—Ga3—O3^v	99.2 (7)
O3^iv—Ga1—La1	127.9 (3)	O2^xvii—Ga3—O3^v	108.8 (6)
O3^v—Ga1—La1	98.0 (2)	O3^xi—Ga3—O3^v	135.9 (5)
O3^i—Ga1—La1	41.1 (4)	O2^i—Ga3—Nb^xi	143.4 (5)
O3^vi—Ga1—La1	127.9 (3)	O2^xvii—Ga3—Nb^xi	87.9 (5)
O3^vii—Ga1—La1	98.0 (2)	O3^xi—Ga3—Nb^xi	34.7 (3)
O3—Ga1—La1	41.1 (4)	O3^v—Ga3—Nb^xi	111.9 (4)
La1^vii—Ga1—La1	120.0	O2^i—Ga3—Nb	87.9 (5)
La1^vi—Ga1—La1	120.0	O2^xvii—Ga3—Nb	143.4 (5)
O3^iv—Nb—O3^v	88.0 (6)	O3^xi—Ga3—Nb	111.9 (4)
O3^iv—Nb—O3^i	88.0 (6)	O3^v—Ga3—Nb	34.7 (3)
O3^v—Nb—O3^i	88.0 (6)	Nb^xi—Ga3—Nb	106.59 (4)
O3^iv—Nb—O3^vi	104.2 (6)	Ga2^viii—O1—La1^xiv	112.8 (6)
O3^v—Nb—O3^vi	82.2 (8)	Ga2^viii—O1—La1^xiii	112.8 (6)
O3^i—Nb—O3^vi	164.0 (5)	La1^xiv—O1—La1^xiii	106.0 (6)
O3^iv—Nb—O3^vii	82.2 (8)	Ga2^viii—O1—La1	112.8 (6)
O3^v—Nb—O3^vii	164.0 (5)	La1^xiv—O1—La1	106.0 (6)
O3^i—Nb—O3^vii	104.2 (6)	La1^xiii—O1—La1	106.0 (6)
O3^vi—Nb—O3^vii	88.0 (6)	Ga3^i—O2—Ga2^i	121.2 (12)
O3^iv—Nb—O3	164.0 (5)	Ga3^i—O2—La1^xviii	121.0 (5)
O3^v—Nb—O3	104.2 (6)	Ga2^i—O2—La1^xviii	104.0 (5)
O3^i—Nb—O3	82.2 (8)	Ga3^i—O2—La1	112.5 (5)
O3^vi—Nb—O3	88.0 (6)	Ga2^i—O2—La1	89.7 (4)
O3^vii—Nb—O3	88.0 (6)	La1^xviii—O2—La1	102.9 (7)
O3^iv—Nb—Ga3	88.4 (4)	Ga3^viii—O3—Nb	113.0 (4)
O3^v—Nb—Ga3	32.2 (3)	Ga3^viii—O3—Ga1	113.0 (4)
O3^i—Nb—Ga3	55.8 (3)	Nb—O3—Ga1	0.0
O3^vi—Nb—Ga3	113.3 (4)	Ga3^viii—O3—La1	138.3 (4)
O3^vii—Nb—Ga3	158.3 (4)	Nb—O3—La1	106.0 (7)
O3—Nb—Ga3	96.4 (4)	Ga1—O3—La1	106.0 (7)

Symmetry codes: (i) y, x, −z; (ii) −y+1, x−y+1, z; (iii) x−y+1, −y+1, −z; (iv) −x, −x+y, −z; (v) x−y, −y, −z; (vi) −x+y, −x, z; (vii) −y, x−y, z; (viii) x, y, z+1; (ix) y, x, −z−1; (x) −x+y, −x, z+1; (xi) x, y, z−1; (xii) −x+1, −x+y, −z; (xiii) −x+y+1, −x+1, z; (xiv) −y+1, x−y, z; (xv) −y+1, x−y, z−1; (xvi) −x+y+1, −x+1, z−1; (xvii) −x+y, −x, z−1; (xviii) −x+y, −x+1, z.

(7.7d3)

Crystal data

Ga5.54La3O14Ta0.46	V = 284.7 Å^3
Mr = 1110.22	Z = 1
?, ?	F(000) = 488
a = 8.060 Å	Dx = 6.476 Mg m^−3
b = 8.060 Å	Ag Kα radiation, λ = 0.56000 Å
c = 5.060 Å	µ = 14.97 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.000
Graphite monochromator	θmax = 22.8°, θmin = 3.2°
449 measured reflections	h = −9→9
449 independent reflections	k = −11→11
449 reflections with I > 2σ(I)	l = −6→6

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.047	(Δ/σ)max = 1.955
wR(F^2) = 0.139	Δρmax = 2.00 e Å^−3
S = 1.24	Δρmin = −3.74 e Å^−3
449 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
39 parameters	Extinction coefficient: 0.019 (8)
0 restraints	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.06 (10)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La	−0.43055 (13)	0.0000	0.0000	0.0083 (5)
Ga1	0.0000	0.0000	0.0000	0.0089 (6)	0.50
Ta	0.0000	0.0000	0.0000	0.0089 (6)	0.50
Ga2	−0.6667	−0.3333	0.4742 (6)	0.0080 (6)
Ga3	0.0000	0.2344 (3)	0.5000	0.0109 (6)
O1	−0.3333	0.3333	0.172 (4)	0.014 (3)
O2	−0.1459 (18)	0.0724 (19)	0.242 (3)	0.022 (3)
O3	−0.696 (3)	−0.150 (2)	0.303 (4)	0.031 (4)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La	0.0109 (5)	0.0075 (6)	0.0055 (7)	0.0037 (3)	−0.00085 (18)	−0.0017 (4)
Ga1	0.0103 (7)	0.0103 (7)	0.0061 (10)	0.0051 (3)	0.000	0.000
Ta	0.0103 (7)	0.0103 (7)	0.0061 (10)	0.0051 (3)	0.000	0.000
Ga2	0.0089 (8)	0.0089 (8)	0.0063 (13)	0.0045 (4)	0.000	0.000
Ga3	0.0120 (11)	0.0082 (7)	0.0138 (12)	0.0060 (5)	−0.0058 (8)	−0.0029 (4)
O1	0.021 (6)	0.021 (6)	0.000 (7)	0.010 (3)	0.000	0.000
O2	0.020 (5)	0.032 (8)	0.017 (5)	0.017 (6)	−0.016 (5)	−0.018 (6)
O3	0.042 (8)	0.027 (7)	0.035 (9)	0.024 (7)	0.027 (7)	0.018 (6)

Geometric parameters (Å, º)

La—O3^i	2.407 (16)	Ta—Ga3^ix	3.1578 (14)
La—O3	2.407 (16)	Ta—Ga3	3.1578 (14)
La—O2^i	2.401 (11)	Ta—Ga3^vi	3.1578 (14)
La—O2	2.401 (11)	Ta—Ga3^x	3.1578 (14)
La—O1^ii	2.547 (7)	Ta—Ga3^xi	3.1578 (14)
La—O1	2.547 (7)	Ta—Ga3^v	3.1578 (14)
La—O3^iii	2.82 (2)	Ga2—O1^xii	1.79 (2)
La—O3^iv	2.82 (2)	Ga2—O3^xiii	1.826 (16)
La—Ga2	3.389 (2)	Ga2—O3	1.826 (16)
La—Ga2^iv	3.389 (2)	Ga2—O3^iii	1.826 (16)
La—Ga1	3.4702 (11)	Ga2—La^ii	3.389 (2)
La—Ta	3.4702 (11)	Ga2—La^iii	3.389 (2)
Ga1—O2^v	1.976 (13)	Ga2—La^xii	3.579 (2)
Ga1—O2	1.976 (13)	Ga2—La^xiv	3.579 (2)
Ga1—O2^i	1.976 (13)	Ga2—La^xv	3.579 (2)
Ga1—O2^vi	1.976 (13)	Ga3—O2^xvi	1.805 (12)
Ga1—O2^vii	1.976 (13)	Ga3—O2	1.806 (12)
Ga1—O2^viii	1.976 (13)	Ga3—O3^xvii	1.858 (17)
Ga1—La^v	3.4702 (11)	Ga3—O3^xviii	1.858 (17)
Ga1—La^vii	3.4702 (11)	Ga3—Ta^xv	3.1578 (14)
Ta—O2^v	1.976 (13)	O1—Ga2^xvii	1.79 (2)
Ta—O2	1.976 (13)	O1—La^xix	2.547 (7)
Ta—O2^i	1.976 (13)	O1—La^iv	2.547 (7)
Ta—O2^vi	1.976 (13)	O3—Ga3^xii	1.858 (17)
Ta—O2^vii	1.976 (13)	O3—La^ii	2.82 (2)
Ta—O2^viii	1.976 (13)
O3^i—La—O3	100.9 (9)	O2^v—Ta—Ga3	160.1 (4)
O3^i—La—O2^i	107.3 (5)	O2—Ta—Ga3	31.7 (3)
O3—La—O2^i	139.8 (5)	O2^i—Ta—Ga3	114.0 (3)
O3^i—La—O2	139.8 (5)	O2^vi—Ta—Ga3	87.0 (4)
O3—La—O2	107.3 (5)	O2^vii—Ta—Ga3	54.2 (4)
O2^i—La—O2	66.9 (6)	O2^viii—Ta—Ga3	98.1 (4)
O3^i—La—O1^ii	92.2 (5)	Ga3^ix—Ta—Ga3	145.18 (3)
O3—La—O1^ii	71.4 (6)	O2^v—Ta—Ga3^vi	114.0 (3)
O2^i—La—O1^ii	79.4 (4)	O2—Ta—Ga3^vi	54.2 (4)
O2—La—O1^ii	123.4 (4)	O2^i—Ta—Ga3^vi	98.1 (4)
O3^i—La—O1	71.4 (6)	O2^vi—Ta—Ga3^vi	31.7 (3)
O3—La—O1	92.2 (5)	O2^vii—Ta—Ga3^vi	87.0 (4)
O2^i—La—O1	123.4 (4)	O2^viii—Ta—Ga3^vi	160.1 (4)
O2—La—O1	79.4 (4)	Ga3^ix—Ta—Ga3^vi	106.49 (7)
O1^ii—La—O1	154.61 (9)	Ga3—Ta—Ga3^vi	62.43 (6)
O3^i—La—O3^iii	155.3 (2)	O2^v—Ta—Ga3^x	87.0 (4)
O3—La—O3^iii	63.9 (7)	O2—Ta—Ga3^x	98.1 (4)
O2^i—La—O3^iii	79.2 (5)	O2^i—Ta—Ga3^x	54.2 (4)
O2—La—O3^iii	64.8 (5)	O2^vi—Ta—Ga3^x	160.1 (4)
O1^ii—La—O3^iii	65.1 (5)	O2^vii—Ta—Ga3^x	114.0 (3)
O1—La—O3^iii	125.7 (5)	O2^viii—Ta—Ga3^x	31.7 (3)
O3^i—La—O3^iv	63.9 (7)	Ga3^ix—Ta—Ga3^x	62.43 (6)
O3—La—O3^iv	155.3 (2)	Ga3—Ta—Ga3^x	106.49 (7)
O2^i—La—O3^iv	64.8 (5)	Ga3^vi—Ta—Ga3^x	145.18 (3)
O2—La—O3^iv	79.2 (5)	O2^v—Ta—Ga3^xi	98.1 (4)
O1^ii—La—O3^iv	125.7 (5)	O2—Ta—Ga3^xi	87.0 (4)
O1—La—O3^iv	65.1 (5)	O2^i—Ta—Ga3^xi	160.1 (4)
O3^iii—La—O3^iv	136.9 (6)	O2^vi—Ta—Ga3^xi	54.2 (4)
O3^i—La—Ga2	130.1 (4)	O2^vii—Ta—Ga3^xi	31.7 (3)
O3—La—Ga2	31.3 (4)	O2^viii—Ta—Ga3^xi	114.0 (3)
O2^i—La—Ga2	110.7 (4)	Ga3^ix—Ta—Ga3^xi	145.18 (3)
O2—La—Ga2	85.5 (4)	Ga3—Ta—Ga3^xi	62.43 (6)
O1^ii—La—Ga2	65.1 (4)	Ga3^vi—Ta—Ga3^xi	62.43 (6)
O1—La—Ga2	110.4 (4)	Ga3^x—Ta—Ga3^xi	145.18 (3)
O3^iii—La—Ga2	32.6 (3)	O2^v—Ta—Ga3^v	31.7 (3)
O3^iv—La—Ga2	164.5 (3)	O2—Ta—Ga3^v	160.1 (4)
O3^i—La—Ga2^iv	31.3 (4)	O2^i—Ta—Ga3^v	87.0 (4)
O3—La—Ga2^iv	130.1 (4)	O2^vi—Ta—Ga3^v	114.0 (3)
O2^i—La—Ga2^iv	85.5 (4)	O2^vii—Ta—Ga3^v	98.1 (4)
O2—La—Ga2^iv	110.7 (4)	O2^viii—Ta—Ga3^v	54.2 (4)
O1^ii—La—Ga2^iv	110.4 (4)	Ga3^ix—Ta—Ga3^v	62.43 (6)
O1—La—Ga2^iv	65.1 (4)	Ga3—Ta—Ga3^v	145.18 (3)
O3^iii—La—Ga2^iv	164.5 (3)	Ga3^vi—Ta—Ga3^v	145.18 (3)
O3^iv—La—Ga2^iv	32.6 (3)	Ga3^x—Ta—Ga3^v	62.43 (6)
Ga2—La—Ga2^iv	160.98 (4)	Ga3^xi—Ta—Ga3^v	106.49 (7)
O3^i—La—Ga1	129.5 (4)	O1^xii—Ga2—O3^xiii	118.3 (6)
O3—La—Ga1	129.5 (4)	O1^xii—Ga2—O3	118.3 (6)
O2^i—La—Ga1	33.5 (3)	O3^xiii—Ga2—O3	99.4 (8)
O2—La—Ga1	33.5 (3)	O1^xii—Ga2—O3^iii	118.3 (6)
O1^ii—La—Ga1	102.70 (4)	O3^xiii—Ga2—O3^iii	99.4 (8)
O1—La—Ga1	102.70 (4)	O3—Ga2—O3^iii	99.4 (8)
O3^iii—La—Ga1	68.4 (3)	O1^xii—Ga2—La^ii	135.08 (4)
O3^iv—La—Ga1	68.4 (3)	O3^xiii—Ga2—La^ii	43.2 (5)
Ga2—La—Ga1	99.508 (19)	O3—Ga2—La^ii	56.2 (7)
Ga2^iv—La—Ga1	99.509 (19)	O3^iii—Ga2—La^ii	106.1 (6)
O3^i—La—Ta	129.5 (4)	O1^xii—Ga2—La	135.07 (4)
O3—La—Ta	129.5 (4)	O3^xiii—Ga2—La	106.1 (6)
O2^i—La—Ta	33.5 (3)	O3—Ga2—La	43.2 (5)
O2—La—Ta	33.5 (3)	O3^iii—Ga2—La	56.2 (7)
O1^ii—La—Ta	102.70 (4)	La^ii—Ga2—La	75.41 (6)
O1—La—Ta	102.70 (4)	O1^xii—Ga2—La^iii	135.07 (4)
O3^iii—La—Ta	68.4 (3)	O3^xiii—Ga2—La^iii	56.2 (7)
O3^iv—La—Ta	68.4 (3)	O3—Ga2—La^iii	106.1 (6)
Ga2—La—Ta	99.508 (19)	O3^iii—Ga2—La^iii	43.2 (5)
Ga2^iv—La—Ta	99.509 (19)	La^ii—Ga2—La^iii	75.41 (6)
Ga1—La—Ta	0.0	La—Ga2—La^iii	75.41 (6)
O2^v—Ga1—O2	162.8 (8)	O1^xii—Ga2—La^xii	41.97 (3)
O2^v—Ga1—O2^i	85.7 (5)	O3^xiii—Ga2—La^xii	88.9 (7)
O2—Ga1—O2^i	84.1 (7)	O3—Ga2—La^xii	98.3 (5)
O2^v—Ga1—O2^vi	84.1 (7)	O3^iii—Ga2—La^xii	159.0 (7)
O2—Ga1—O2^vi	85.7 (5)	La^ii—Ga2—La^xii	93.105 (7)
O2^i—Ga1—O2^vi	107.3 (9)	La—Ga2—La^xii	139.688 (6)
O2^v—Ga1—O2^vii	107.3 (8)	La^iii—Ga2—La^xii	139.689 (6)
O2—Ga1—O2^vii	85.7 (5)	O1^xii—Ga2—La^xiv	41.97 (3)
O2^i—Ga1—O2^vii	162.8 (8)	O3^xiii—Ga2—La^xiv	98.3 (5)
O2^vi—Ga1—O2^vii	85.7 (5)	O3—Ga2—La^xiv	159.0 (7)
O2^v—Ga1—O2^viii	85.7 (5)	O3^iii—Ga2—La^xiv	88.9 (7)
O2—Ga1—O2^viii	107.3 (8)	La^ii—Ga2—La^xiv	139.689 (6)
O2^i—Ga1—O2^viii	85.7 (5)	La—Ga2—La^xiv	139.689 (6)
O2^vi—Ga1—O2^viii	162.8 (8)	La^iii—Ga2—La^xiv	93.105 (7)
O2^vii—Ga1—O2^viii	84.1 (7)	La^xii—Ga2—La^xiv	70.78 (5)
O2^v—Ga1—La^v	42.0 (3)	O1^xii—Ga2—La^xv	41.97 (3)
O2—Ga1—La^v	126.4 (4)	O3^xiii—Ga2—La^xv	159.0 (7)
O2^i—Ga1—La^v	98.6 (4)	O3—Ga2—La^xv	88.9 (7)
O2^vi—Ga1—La^v	42.0 (3)	O3^iii—Ga2—La^xv	98.3 (5)
O2^vii—Ga1—La^v	98.6 (4)	La^ii—Ga2—La^xv	139.689 (6)
O2^viii—Ga1—La^v	126.4 (4)	La—Ga2—La^xv	93.104 (7)
O2^v—Ga1—La^vii	98.6 (4)	La^iii—Ga2—La^xv	139.688 (6)
O2—Ga1—La^vii	98.6 (4)	La^xii—Ga2—La^xv	70.78 (5)
O2^i—Ga1—La^vii	126.4 (4)	La^xiv—Ga2—La^xv	70.78 (5)
O2^vi—Ga1—La^vii	126.4 (4)	O2^xvi—Ga3—O2	133.1 (8)
O2^vii—Ga1—La^vii	42.0 (3)	O2^xvi—Ga3—O3^xvii	100.3 (7)
O2^viii—Ga1—La^vii	42.0 (3)	O2—Ga3—O3^xvii	108.7 (6)
La^v—Ga1—La^vii	120.0	O2^xvi—Ga3—O3^xviii	108.7 (6)
O2^v—Ga1—La	126.4 (4)	O2—Ga3—O3^xviii	100.3 (7)
O2—Ga1—La	42.0 (3)	O3^xvii—Ga3—O3^xviii	102.1 (13)
O2^i—Ga1—La	42.0 (3)	O2^xvi—Ga3—Ta^xv	35.1 (4)
O2^vi—Ga1—La	98.6 (4)	O2—Ga3—Ta^xv	110.0 (5)
O2^vii—Ga1—La	126.4 (4)	O3^xvii—Ga3—Ta^xv	86.9 (7)
O2^viii—Ga1—La	98.6 (4)	O3^xviii—Ga3—Ta^xv	143.7 (5)
La^v—Ga1—La	120.0	O2^xvi—Ga3—Ta	110.0 (5)
La^vii—Ga1—La	120.0	O2—Ga3—Ta	35.1 (4)
O2^v—Ta—O2	162.8 (8)	O3^xvii—Ga3—Ta	143.7 (5)
O2^v—Ta—O2^i	85.7 (5)	O3^xviii—Ga3—Ta	86.9 (7)
O2—Ta—O2^i	84.1 (7)	Ta^xv—Ga3—Ta	106.49 (7)
O2^v—Ta—O2^vi	84.1 (7)	Ga2^xvii—O1—La	110.0 (4)
O2—Ta—O2^vi	85.7 (5)	Ga2^xvii—O1—La^xix	110.0 (4)
O2^i—Ta—O2^vi	107.3 (9)	La—O1—La^xix	108.9 (4)
O2^v—Ta—O2^vii	107.3 (8)	Ga2^xvii—O1—La^iv	110.0 (4)
O2—Ta—O2^vii	85.7 (5)	La—O1—La^iv	108.9 (4)
O2^i—Ta—O2^vii	162.8 (8)	La^xix—O1—La^iv	108.9 (4)
O2^vi—Ta—O2^vii	85.7 (5)	Ga3—O2—Ta	113.2 (6)
O2^v—Ta—O2^viii	85.7 (5)	Ga3—O2—Ga1	113.2 (6)
O2—Ta—O2^viii	107.3 (8)	Ta—O2—Ga1	0.0
O2^i—Ta—O2^viii	85.7 (5)	Ga3—O2—La	137.9 (7)
O2^vi—Ta—O2^viii	162.8 (8)	Ta—O2—La	104.5 (5)
O2^vii—Ta—O2^viii	84.1 (7)	Ga1—O2—La	104.5 (5)
O2^v—Ta—Ga3^ix	54.2 (4)	Ga2—O3—Ga3^xii	118.4 (11)
O2—Ta—Ga3^ix	114.0 (3)	Ga2—O3—La	105.5 (8)
O2^i—Ta—Ga3^ix	31.7 (3)	Ga3^xii—O3—La	119.8 (7)
O2^vi—Ta—Ga3^ix	98.1 (4)	Ga2—O3—La^ii	91.2 (6)
O2^vii—Ta—Ga3^ix	160.1 (4)	Ga3^xii—O3—La^ii	112.9 (8)
O2^viii—Ta—Ga3^ix	87.0 (4)	La—O3—La^ii	104.7 (7)

Symmetry codes: (i) x−y, −y, −z; (ii) y−1, x, −z; (iii) −x+y−1, −x−1, z; (iv) y, x+1, −z; (v) y, x, −z; (vi) −y, x−y, z; (vii) −x+y, −x, z; (viii) −x, −x+y, −z; (ix) −y, x−y, z−1; (x) x, y, z−1; (xi) y, x, −z+1; (xii) y−1, x, −z+1; (xiii) −y−1, x−y, z; (xiv) −x+y−1, −x−1, z+1; (xv) x, y, z+1; (xvi) −x, −x+y, −z+1; (xvii) y, x+1, −z+1; (xviii) −y, x−y+1, z; (xix) −x+y−1, −x, z.

(7.8cad4)

Crystal data

Ga5.50La3Nb0.50O14	V = 285.4 Å^3
Mr = 1070.65	Z = 1
?, ?	F(000) = 474
a = 8.069 Å	Dx = 6.229 Mg m^−3
b = 8.069 Å	Mo Kα radiation, λ = 0.71070 Å
c = 5.062 Å	µ = 24.29 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.063
Graphite monochromator	θmax = 27.9°, θmin = 5.0°
1553 measured reflections	h = −10→10
400 independent reflections	k = −10→10
400 reflections with I > 2σ(I)	l = −6→6

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.045	(Δ/σ)max < 0.001
wR(F^2) = 0.108	Δρmax = 1.48 e Å^−3
S = 1.03	Δρmin = −1.85 e Å^−3
400 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
39 parameters	Extinction coefficient: 0.166 (17)
0 restraints	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.06 (11)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La1	0.42902 (13)	0.0000	0.0000	0.0237 (5)
Ga1	0.0000	0.0000	0.0000	0.0249 (8)	0.50
Nb	0.0000	0.0000	0.0000	0.0249 (8)	0.50
Ga2	0.3333	0.6667	0.5294 (6)	0.0230 (7)
Ga3	0.7657 (3)	0.0000	0.5000	0.0256 (6)
O1	0.3333	−0.3333	0.173 (4)	0.026 (4)
O2	0.4535 (17)	0.3071 (19)	0.317 (3)	0.039 (3)
O3	0.7830 (16)	−0.1449 (14)	0.243 (3)	0.035 (3)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La1	0.0232 (6)	0.0193 (6)	0.0274 (7)	0.0096 (3)	0.0005 (3)	0.0009 (5)
Ga1	0.0235 (10)	0.0235 (10)	0.0278 (19)	0.0118 (5)	0.000	0.000
Nb	0.0235 (10)	0.0235 (10)	0.0278 (19)	0.0118 (5)	0.000	0.000
Ga2	0.0207 (8)	0.0207 (8)	0.0277 (16)	0.0104 (4)	0.000	0.000
Ga3	0.0224 (8)	0.0231 (11)	0.0316 (13)	0.0115 (5)	−0.0024 (4)	−0.0048 (9)
O1	0.032 (5)	0.032 (5)	0.015 (8)	0.016 (3)	0.000	0.000
O2	0.020 (5)	0.047 (7)	0.049 (8)	0.016 (5)	0.007 (6)	0.015 (6)
O3	0.026 (5)	0.024 (5)	0.039 (6)	0.001 (4)	0.003 (5)	−0.008 (5)

Bond lengths (Å)

La1—O3^i	2.404 (10)	O2—O1^v	2.96 (2)
La1—O3^ii	2.404 (10)	O2—O3^xxii	2.929 (19)
La1—O2^iii	2.446 (14)	O2—O1^xxxi	3.05 (2)
La1—O2^iv	2.446 (14)	O2—O3^i	3.41 (2)
La1—O1	2.554 (7)	O2—O1^xx	3.563 (13)
La1—O1^v	2.554 (7)	O2—O2^xiii	3.80 (3)
La1—O2^vi	2.874 (14)	O2—O3^xx	3.873 (17)
La1—O2	2.874 (14)	O2—La1^xxiv	3.922 (16)
La1—Ga2^vii	3.381 (2)	O2—Ga3^xix	4.165 (13)
La1—Ga2^viii	3.381 (2)	O2—O3^xxxi	4.215 (19)
La1—Ga1	3.4617 (11)	O2—Ga3^xxxi	4.205 (13)
La1—Nb	3.4617 (11)	O2—La1^xli	4.202 (14)
Ga1—O3^ix	1.976 (11)	O2—La1^v	4.318 (12)
Ga1—O3^x	1.976 (11)	O2—Ga3^xviii	4.419 (15)
Ga1—O3^xi	1.976 (11)	O2—O3^l	4.371 (19)
Ga1—O3^i	1.976 (11)	O2—La1^xiii	4.530 (11)
Ga1—O3^xii	1.976 (11)	O2—O3^v	4.565 (19)
Ga1—O3^ii	1.976 (11)	O2—Ga2^xiii	4.581 (15)
Ga1—La1^xiii	3.4617 (11)	O2—O2^xxii	4.488 (13)
Ga1—La1^xiv	3.4618 (11)	O2—O2^xxvi	4.488 (13)
Ga1—O2^xiii	3.610 (13)	O2—O3^x	4.710 (17)
Ga1—O2^xv	3.610 (13)	O2—O2^xxv	4.68 (3)
Ga1—O2^xvi	3.610 (13)	O2—Nb^xli	4.736 (14)
Nb—O3^ix	1.976 (11)	O2—Ga1^xli	4.736 (14)
Nb—O3^x	1.976 (11)	O2—O3^xi	4.793 (16)
Nb—O3^xi	1.976 (11)	O2—Ga2^xxxiv	4.878 (13)
Nb—O3^i	1.976 (11)	O2—Ga3^xi	4.904 (12)
Nb—O3^xii	1.976 (11)	O2—Ga3^xx	4.938 (14)
Nb—O3^ii	1.976 (11)	O2—O2^xxxviii	5.0620
Nb—Ga3^ix	3.1590 (15)	O2—O2^xli	5.0620
Nb—Ga3^xvii	3.1590 (15)	O2—O2^i	5.194 (19)
Nb—Ga3^xi	3.1590 (15)	O2—O2^iv	5.194 (19)
Nb—Ga3^xviii	3.1590 (15)	O2—O3^xix	5.073 (17)
Nb—Ga3^xii	3.1591 (15)	O2—O3^xxv	5.132 (16)
Nb—Ga3^xix	3.1591 (15)	O2—Ga2^xxxviii	5.296 (14)
Ga2—O1^xx	1.80 (2)	O2—O2^vi	5.36 (3)
Ga2—O2^xxi	1.802 (12)	O2—O2^xxi	5.195 (19)
Ga2—O2^xxii	1.802 (12)	O2—O2^li	5.195 (19)
Ga2—O2^vii	1.802 (12)	O2—O3^xxvii	5.405 (16)
Ga2—O1^xxiii	3.26 (2)	O2—Nb^lii	5.350 (13)
Ga2—La1^xxiii	3.381 (2)	O2—Ga1^lii	5.350 (13)
Ga2—La1^vii	3.381 (2)	O2—La1^xxxi	5.296 (13)
Ga2—La1^xxiv	3.381 (2)	O2—O3^xii	5.368 (19)
Ga2—O3^xv	3.472 (11)	O2—O3^vi	5.423 (19)
Ga2—O3^xx	3.472 (11)	O2—O3^iii	5.330 (17)
Ga2—O3^ix	3.472 (11)	O2—La1^vii	5.470 (13)
Ga2—La1^xx	3.597 (2)	O2—O3^xlix	5.473 (18)
Ga3—O3	1.799 (12)	O2—O3	5.496 (16)
Ga3—O3^xxv	1.799 (12)	O2—O3^xxiv	5.456 (19)
Ga3—O2^iii	1.815 (13)	O2—O2^xv	5.60 (2)
Ga3—O2^xxvi	1.815 (13)	O2—O2^xiv	5.60 (2)
Ga3—O3^xxvii	2.557 (14)	O2—O1^xxiii	5.56 (2)
Ga3—O3^xxviii	2.557 (14)	O2—O2^liii	5.82 (2)
Ga3—Nb^xxix	3.1591 (15)	O2—O2^liv	5.82 (2)
Ga3—Nb^xxx	3.1591 (15)	O2—Ga3^xii	5.795 (15)
Ga3—O1^xxxi	3.572 (9)	O2—O2^xviii	5.792 (9)
Ga3—O1	3.572 (9)	O2—O2^xxiv	5.792 (9)
Ga3—O3^xxxii	3.629 (11)	O2—O2^xlvii	5.792 (9)
Ga3—O3^xxxiii	3.629 (11)	O2—O2^lv	5.792 (9)
O1—Ga2^xxxiv	1.80 (2)	O2—La1^xx	5.914 (13)
O1—La1^xii	2.554 (7)	O2—O3^xlviii	6.12 (2)
O1—La1^xxxv	2.554 (7)	O2—O2^lvi	6.04 (2)
O1—O2^vi	2.96 (2)	O2—O2^lvii	6.04 (2)
O1—O2^iv	2.96 (2)	O2—O3^xviii	6.106 (18)
O1—O2^xii	2.96 (2)	O2—O3^xxiii	6.072 (19)
O1—O2^xxv	3.05 (2)	O2—O1^lii	6.225 (12)
O1—O2^xxvi	3.05 (2)	O3—Nb^xxx	1.976 (11)
O1—O2^xix	3.05 (2)	O3—Ga1^xxx	1.976 (11)
O1—O3^ii	3.176 (11)	O3—La1^xxxv	2.404 (10)
O1—O3^xxxv	3.176 (11)	O3—Ga3^xxviii	2.557 (14)
O1—O3	3.176 (11)	O3—O3^xxxvii	2.66 (3)
O1—Ga2^viii	3.26 (2)	O3—O3^xxviii	2.79 (3)
O1—O2^xiv	3.563 (13)	O3—O3^xxvii	2.675 (18)
O1—O2^iii	3.563 (13)	O3—O3^xxxiii	2.675 (18)
O1—O2^xxxiv	3.563 (13)	O3—O2^xxxv	2.843 (18)
O1—Ga3^xix	3.572 (9)	O3—O2^iii	2.810 (17)
O1—Ga3^xxxv	3.572 (9)	O3—O2^xxvi	2.929 (19)
O1—O3^i	4.370 (14)	O3—O3^vi	3.19 (3)
O1—O3^xxxvi	4.370 (14)	O3—O3^xxv	3.29 (2)
O1—O3^xxxvii	4.370 (14)	O3—O2^iv	3.41 (2)
O1—Ga3^xii	4.651 (15)	O3—Ga2^xxxiv	3.472 (11)
O1—Ga3^xxxviii	4.651 (15)	O3—Ga3^xxvii	3.629 (11)
O1—Ga3^xxxix	4.651 (15)	O3—O2^xxxiv	3.874 (17)
O1—O3^xxii	4.84 (2)	O3—Ga2^xix	3.997 (12)
O1—O3^xl	4.84 (2)	O3—O3^lviii	3.91 (2)
O1—O3^xxviii	4.84 (2)	O3—O3^xxxii	3.99 (3)
O1—Nb^xxx	4.740 (4)	O3—Ga3^xxxviii	3.963 (14)
O1—Ga1^xxx	4.740 (4)	O3—Nb^xxix	4.130 (14)
O1—Ga1^xxxiv	4.740 (4)	O3—Ga1^xxix	4.130 (14)
O1—Nb^xxxiv	4.740 (4)	O3—O2^xix	4.215 (19)
O1—La1^xli	4.824 (17)	O3—La1^xlii	4.351 (13)
O1—La1^xix	4.824 (17)	O3—La1^v	4.233 (11)
O1—La1^xlii	4.824 (17)	O3—O1^xxxvii	4.370 (14)
O1—O2	4.813 (14)	O3—O2^lix	4.372 (19)
O1—O2^ii	4.813 (14)	O3—Ga3^xxxvii	4.360 (12)
O1—O2^xxxv	4.813 (14)	O3—O2^xii	4.565 (19)
O1—Ga2^vii	4.896 (6)	O3—Ga2^vii	4.551 (12)
O1—Ga2^xliii	4.896 (6)	O3—O2^lx	4.710 (17)
O1—Ga2^xix	4.896 (6)	O3—La1^xxxvii	4.736 (12)
O1—O3^xii	4.882 (17)	O3—O1^xxviii	4.84 (2)
O1—O3^vi	4.882 (17)	O3—O2^xxx	4.793 (16)
O1—O3^iv	4.882 (17)	O3—Ga2^viii	4.798 (14)
O1—O1^v	4.977 (14)	O3—Ga3^xxxv	4.920 (10)
O1—O1^xii	4.977 (14)	O3—La1^xxx	4.895 (12)
O1—O1^xxxvii	4.977 (14)	O3—O1^v	4.882 (17)
O1—O1^xli	5.0620	O3—O3^xli	5.0620
O1—O1^xxxviii	5.0620	O3—O3^xxxviii	5.0620
O1—Ga3^ix	5.293 (6)	O3—Ga3^lxi	5.063 (12)
O1—Ga3^xliv	5.293 (6)	O3—O2^xxxi	5.073 (17)
O1—Ga3^xxviii	5.293 (6)	O3—O2^xxv	5.132 (16)
O1—O3^xix	5.303 (16)	O3—La1^xli	5.247 (12)
O1—O3^xxv	5.303 (16)	O3—O2^xxxiii	5.405 (16)
O1—O3^xxvi	5.303 (16)	O3—O1^xxxi	5.303 (16)
O1—O3^xi	5.377 (13)	O3—O1^xxx	5.377 (13)
O1—O3^xxvii	5.377 (13)	O3—O2^v	5.368 (18)
O1—O3^xlv	5.377 (13)	O3—O2^vi	5.423 (19)
O1—O1^xxxi	5.71 (2)	O3—O2^ix	5.330 (17)
O1—O1^xix	5.71 (2)	O3—Ga2^xii	5.473 (12)
O1—O1^xxviii	5.71 (2)	O3—O3^ii	5.466 (19)
O1—O2^xlvi	5.56 (2)	O3—O3^xxxv	5.466 (19)
O1—O2^xlvii	5.56 (2)	O3—Ga2^lxii	5.557 (13)
O1—O2^viii	5.56 (2)	O3—O2^xxxix	5.473 (18)
O1—O3^xlviii	5.67 (2)	O3—O2^xlvii	5.456 (19)
O1—O3^xxxix	5.67 (2)	O3—La1^xii	5.615 (11)
O1—O3^xxxviii	5.67 (2)	O3—La1^xxxi	5.574 (11)
O1—O3^ix	5.801 (10)	O3—O1^xli	5.67 (2)
O1—O3^xliv	5.801 (10)	O3—O3^lxiii	5.726 (8)
O1—O3^xxxiii	5.801 (10)	O3—O3^lxi	5.726 (8)
O1—La1^xiv	5.870 (3)	O3—O3^lxiv	5.726 (8)
O1—La1^v	5.870 (3)	O3—O3^lxv	5.726 (8)
O1—La1^xxxiv	5.870 (3)	O3—O1^lii	5.801 (10)
O1—O2^xliv	6.225 (12)	O3—La1^xxviii	5.965 (14)
O1—O2^ix	6.225 (12)	O3—O2^xlii	6.12 (2)
O1—O2^xxxiii	6.225 (12)	O3—O2^lv	6.106 (18)
O1—O3^xlix	6.270 (19)	O3—La1^xxxiv	6.130 (10)
O2—Ga2^vii	1.802 (12)	O3—La1^xxix	6.092 (14)
O2—Ga3^ix	1.815 (13)	O3—O2^viii	6.072 (19)
O2—La1^ix	2.446 (14)	O3—O3^i	6.163 (19)
O2—O3^ii	2.843 (18)	O3—O3^iv	6.163 (19)
O2—O2^ix	2.814 (19)	O3—O3^xxii	6.219 (17)
O2—O2^iii	2.814 (19)	O3—O3^xxvi	6.219 (17)
O2—O2^vii	2.76 (3)	O3—O1^xxxviii	6.270 (19)
O2—O3^ix	2.810 (17)

Symmetry codes: (i) −x+1, −x+y+1, −z; (ii) −y, x−y−1, z; (iii) −y+1, x−y, z; (iv) −x+1, −x+y, −z; (v) y+1, x, −z; (vi) x−y, −y, −z; (vii) y, x, −z+1; (viii) x, y−1, z−1; (ix) −x+y+1, −x+1, z; (x) x−y−1, −y, −z; (xi) x−1, y, z; (xii) y, x−1, −z; (xiii) y, x, −z; (xiv) −x+y, −x, z; (xv) −y, x−y, z; (xvi) −x, −x+y, −z; (xvii) x−1, y, z−1; (xviii) −x+y+1, −x+1, z−1; (xix) y, x−1, −z+1; (xx) x, y+1, z; (xxi) x−y, −y+1, −z+1; (xxii) −x+1, −x+y+1, −z+1; (xxiii) x, y+1, z+1; (xxiv) −x+y+1, −x+1, z+1; (xxv) x−y, −y, −z+1; (xxvi) −x+1, −x+y, −z+1; (xxvii) −x+y+2, −x+1, z; (xxviii) y+1, x−1, −z+1; (xxix) x+1, y, z+1; (xxx) x+1, y, z; (xxxi) y+1, x, −z+1; (xxxii) −x+2, −x+y+1, −z+1; (xxxiii) −y+1, x−y−1, z; (xxxiv) x, y−1, z; (xxxv) −x+y+1, −x, z; (xxxvi) x−y−1, −y−1, −z; (xxxvii) y+1, x−1, −z; (xxxviii) x, y, z−1; (xxxix) −x+y+1, −x, z−1; (xl) x−y−1, −y−1, −z+1; (xli) x, y, z+1; (xlii) −x+y+1, −x, z+1; (xliii) y−1, x−1, −z+1; (xliv) x−1, y−1, z; (xlv) −y, x−y−2, z; (xlvi) −x+y, −x, z−1; (xlvii) −y+1, x−y, z−1; (xlviii) −y, x−y−1, z−1; (xlix) −y, x−y−1, z+1; (l) x−y−1, −y, −z+1; (li) x−y+1, −y+1, −z+1; (lii) x+1, y+1, z; (liii) x−y, −y+1, −z; (liv) x−y+1, −y+1, −z; (lv) −y+1, x−y, z+1; (lvi) −y+1, x−y+1, z; (lvii) −x+y, −x+1, z; (lviii) −x+2, −x+y+1, −z; (lix) x−y+1, −y, −z+1; (lx) x−y+1, −y, −z; (lxi) −x+y+2, −x+1, z−1; (lxii) x+1, y−1, z; (lxiii) −x+y+2, −x+1, z+1; (lxiv) −y+1, x−y−1, z+1; (lxv) −y+1, x−y−1, z−1.

(8.15cad4)

Crystal data

Ga5.54La3O14Ta0.46	V = 284.8 Å^3
Mr = 1110.22	Z = 1
?, ?	F(000) = 488
a = 8.063 Å	Dx = 6.472 Mg m^−3
b = 8.063 Å	? radiation, λ = 0.70930 Å
c = 5.059 Å	µ = 28.34 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.089
Graphite monochromator	θmax = 31.9°, θmin = 2.9°
1557 measured reflections	h = −12→12
423 independent reflections	k = −10→10
417 reflections with I > 2σ(I)	l = −6→6

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.053	(Δ/σ)max = 0.121
wR(F^2) = 0.126	Δρmax = 2.49 e Å^−3
S = 1.16	Δρmin = −2.56 e Å^−3
423 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
45 parameters	Extinction coefficient: 0.146 (17)
0 restraints	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: −0.05 (8)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La	−0.43034 (17)	0.0000	0.0000	0.0154 (5)
Ga1	0.0000	0.0000	0.0000	0.0174 (7)	0.50
Ta	0.0000	0.0000	0.0000	0.0174 (7)	0.50
Ga2	−0.6667	−0.3333	0.4715 (8)	0.0144 (8)
Ga3	0.0000	0.2350 (4)	0.5000	0.0173 (6)
O1	0.661 (7)	0.326 (11)	0.161 (6)	0.032 (10)
O2	−0.455 (2)	−0.302 (2)	0.312 (3)	0.032 (4)
O3	−0.215 (2)	−0.070 (2)	−0.239 (3)	0.037 (5)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La	0.0184 (6)	0.0141 (7)	0.0123 (8)	0.0070 (4)	−0.0004 (3)	−0.0007 (6)
Ga1	0.0191 (9)	0.0191 (9)	0.0140 (16)	0.0096 (4)	0.000	0.000
Ta	0.0191 (9)	0.0191 (9)	0.0140 (16)	0.0096 (4)	0.000	0.000
Ga2	0.0157 (11)	0.0157 (11)	0.0117 (18)	0.0078 (5)	0.000	0.000
Ga3	0.0185 (13)	0.0158 (9)	0.0184 (15)	0.0092 (6)	−0.0043 (10)	−0.0022 (5)
O1	0.00 (3)	0.09 (5)	0.03 (2)	0.04 (4)	0.02 (3)	−0.01 (4)
O2	0.023 (8)	0.044 (10)	0.022 (10)	0.010 (7)	−0.001 (6)	−0.023 (7)
O3	0.027 (8)	0.035 (10)	0.056 (12)	0.020 (7)	−0.033 (9)	−0.032 (8)

Geometric parameters (Å, º)

La—O1^i	2.58 (6)	Ta—Ga3^ix	3.1602 (17)
La—O1^ii	2.58 (6)	Ta—Ga3^xiii	3.1602 (17)
La—O3^iii	2.403 (16)	Ta—Ga3	3.1603 (17)
La—O3	2.403 (16)	Ta—Ga3^xiv	3.1603 (17)
La—O2^iv	2.449 (16)	Ga2—O2^xv	1.786 (15)
La—O2^v	2.449 (16)	Ga2—O2	1.786 (15)
La—O1^vi	2.48 (7)	Ga2—O2^iv	1.786 (15)
La—O1^vii	2.48 (7)	Ga2—O1^xvi	1.86 (3)
La—O1^viii	2.53 (4)	Ga2—O1^xvii	1.86 (3)
La—O1^ix	2.53 (4)	Ga2—O1^xviii	1.86 (3)
La—O2^iii	2.823 (19)	Ga2—La^xv	3.380 (3)
La—O2	2.823 (19)	Ga2—La^xix	3.380 (3)
Ga1—O3^ix	1.952 (13)	Ga2—La^xx	3.589 (3)
Ga1—O3^x	1.952 (13)	Ga2—La^xxi	3.589 (3)
Ga1—O3^viii	1.952 (13)	Ga2—La^xxii	3.589 (3)
Ga1—O3	1.952 (13)	Ga3—O3^xxiii	1.822 (15)
Ga1—O3^xi	1.952 (13)	Ga3—O3^iii	1.822 (15)
Ga1—O3^iii	1.952 (13)	Ga3—O2^xi	1.844 (17)
Ga1—La^x	3.4698 (14)	Ga3—O2^xxiv	1.844 (17)
Ga1—La^xi	3.4698 (14)	Ga3—Ta^xxi	3.1602 (17)
Ta—O3^ix	1.952 (13)	O1—Ga2^xxv	1.86 (3)
Ta—O3^x	1.952 (13)	O1—La^xxvi	2.58 (6)
Ta—O3^viii	1.952 (13)	O1—La^xxvii	2.48 (7)
Ta—O3	1.952 (13)	O1—La^xi	2.53 (4)
Ta—O3^xi	1.952 (13)	O2—Ga3^ix	1.844 (17)
Ta—O3^iii	1.952 (13)	O2—La^xv	2.449 (16)
Ta—Ga3^xii	3.1602 (17)	O3—Ga3^xiii	1.822 (15)
Ta—Ga3^x	3.1602 (17)
O1^i—La—O1^ii	153 (3)	O3^xi—Ta—Ga3^ix	160.3 (6)
O1^i—La—O3^iii	122.8 (12)	O3^iii—Ta—Ga3^ix	54.0 (6)
O1^ii—La—O3^iii	81.2 (13)	Ga3^xii—Ta—Ga3^ix	62.55 (7)
O1^i—La—O3	81.2 (13)	Ga3^x—Ta—Ga3^ix	145.12 (4)
O1^ii—La—O3	122.8 (12)	O3^ix—Ta—Ga3^xiii	54.0 (6)
O3^iii—La—O3	65.8 (6)	O3^x—Ta—Ga3^xiii	98.1 (6)
O1^i—La—O2^iv	69.8 (11)	O3^viii—Ta—Ga3^xiii	160.3 (6)
O1^ii—La—O2^iv	93.1 (11)	O3—Ta—Ga3^xiii	31.9 (5)
O3^iii—La—O2^iv	107.0 (6)	O3^xi—Ta—Ga3^xiii	87.2 (5)
O3—La—O2^iv	139.6 (6)	O3^iii—Ta—Ga3^xiii	113.8 (5)
O1^i—La—O2^v	93.1 (11)	Ga3^xii—Ta—Ga3^xiii	145.12 (4)
O1^ii—La—O2^v	69.8 (11)	Ga3^x—Ta—Ga3^xiii	62.55 (7)
O3^iii—La—O2^v	139.6 (6)	Ga3^ix—Ta—Ga3^xiii	106.34 (8)
O3—La—O2^v	107.0 (6)	O3^ix—Ta—Ga3	160.3 (6)
O2^iv—La—O2^v	102.2 (7)	O3^x—Ta—Ga3	87.2 (5)
O1^i—La—O1^vi	0.7 (8)	O3^viii—Ta—Ga3	54.0 (6)
O1^ii—La—O1^vi	153.1 (17)	O3—Ta—Ga3	113.8 (5)
O3^iii—La—O1^vi	123.2 (9)	O3^xi—Ta—Ga3	98.1 (6)
O3—La—O1^vi	81.0 (9)	O3^iii—Ta—Ga3	31.9 (5)
O2^iv—La—O1^vi	70.3 (10)	Ga3^xii—Ta—Ga3	62.55 (7)
O2^v—La—O1^vi	92.5 (10)	Ga3^x—Ta—Ga3	145.12 (4)
O1^i—La—O1^vii	153.1 (17)	Ga3^ix—Ta—Ga3	62.55 (7)
O1^ii—La—O1^vii	0.7 (8)	Ga3^xiii—Ta—Ga3	145.12 (4)
O3^iii—La—O1^vii	81.0 (9)	O3^ix—Ta—Ga3^xiv	87.2 (5)
O3—La—O1^vii	123.2 (9)	O3^x—Ta—Ga3^xiv	160.3 (6)
O2^iv—La—O1^vii	92.5 (10)	O3^viii—Ta—Ga3^xiv	113.8 (5)
O2^v—La—O1^vii	70.3 (10)	O3—Ta—Ga3^xiv	54.0 (6)
O1^vi—La—O1^vii	153.0 (16)	O3^xi—Ta—Ga3^xiv	31.9 (5)
O1^i—La—O1^viii	2 (3)	O3^iii—Ta—Ga3^xiv	98.1 (6)
O1^ii—La—O1^viii	155.0 (7)	Ga3^xii—Ta—Ga3^xiv	145.12 (4)
O3^iii—La—O1^viii	121.3 (17)	Ga3^x—Ta—Ga3^xiv	62.55 (7)
O3—La—O1^viii	79.5 (15)	Ga3^ix—Ta—Ga3^xiv	145.12 (4)
O2^iv—La—O1^viii	71.1 (11)	Ga3^xiii—Ta—Ga3^xiv	62.55 (7)
O2^v—La—O1^viii	94.1 (14)	Ga3—Ta—Ga3^xiv	106.34 (8)
O1^vi—La—O1^viii	2 (2)	O2^xv—Ga2—O2	101.1 (7)
O1^vii—La—O1^viii	154.9 (14)	O2^xv—Ga2—O2^iv	101.1 (7)
O1^i—La—O1^ix	155.0 (7)	O2—Ga2—O2^iv	101.1 (7)
O1^ii—La—O1^ix	2 (3)	O2^xv—Ga2—O1^xvi	118 (2)
O3^iii—La—O1^ix	79.5 (15)	O2—Ga2—O1^xvi	117.3 (11)
O3—La—O1^ix	121.3 (17)	O2^iv—Ga2—O1^xvi	115 (2)
O2^iv—La—O1^ix	94.1 (14)	O2^xv—Ga2—O1^xvii	117.3 (11)
O2^v—La—O1^ix	71.1 (11)	O2—Ga2—O1^xvii	115 (2)
O1^vi—La—O1^ix	154.9 (13)	O2^iv—Ga2—O1^xvii	118 (2)
O1^vii—La—O1^ix	2 (2)	O1^xvi—Ga2—O1^xvii	3 (4)
O1^viii—La—O1^ix	157 (3)	O2^xv—Ga2—O1^xviii	115 (2)
O1^i—La—O2^iii	126.5 (9)	O2—Ga2—O1^xviii	118 (2)
O1^ii—La—O2^iii	64.6 (10)	O2^iv—Ga2—O1^xviii	117.3 (11)
O3^iii—La—O2^iii	80.0 (5)	O1^xvi—Ga2—O1^xviii	3 (4)
O3—La—O2^iii	64.5 (6)	O1^xvii—Ga2—O1^xviii	3 (4)
O2^iv—La—O2^iii	155.8 (2)	O2^xv—Ga2—La^xv	56.6 (6)
O2^v—La—O2^iii	62.6 (6)	O2—Ga2—La^xv	44.5 (5)
O1^vi—La—O2^iii	125.9 (10)	O2^iv—Ga2—La^xv	107.8 (6)
O1^vii—La—O2^iii	65.3 (10)	O1^xvi—Ga2—La^xv	136.4 (18)
O1^viii—La—O2^iii	125.8 (8)	O1^xvii—Ga2—La^xv	133 (2)
O1^ix—La—O2^iii	63.9 (12)	O1^xviii—Ga2—La^xv	134.8 (10)
O1^i—La—O2	64.6 (10)	O2^xv—Ga2—La	107.8 (6)
O1^ii—La—O2	126.5 (9)	O2—Ga2—La	56.6 (6)
O3^iii—La—O2	64.5 (6)	O2^iv—Ga2—La	44.5 (5)
O3—La—O2	80.0 (5)	O1^xvi—Ga2—La	133 (2)
O2^iv—La—O2	62.6 (6)	O1^xvii—Ga2—La	134.8 (10)
O2^v—La—O2	155.8 (2)	O1^xviii—Ga2—La	136.4 (18)
O1^vi—La—O2	65.3 (10)	La^xv—Ga2—La	75.69 (7)
O1^vii—La—O2	125.9 (10)	O2^xv—Ga2—La^xix	44.5 (5)
O1^viii—La—O2	63.9 (12)	O2—Ga2—La^xix	107.8 (6)
O1^ix—La—O2	125.8 (8)	O2^iv—Ga2—La^xix	56.6 (6)
O2^iii—La—O2	137.8 (6)	O1^xvi—Ga2—La^xix	134.8 (10)
O3^ix—Ga1—O3^x	83.9 (10)	O1^xvii—Ga2—La^xix	136.4 (18)
O3^ix—Ga1—O3^viii	107.7 (12)	O1^xviii—Ga2—La^xix	133 (2)
O3^x—Ga1—O3^viii	85.7 (8)	La^xv—Ga2—La^xix	75.69 (7)
O3^ix—Ga1—O3	85.7 (8)	La—Ga2—La^xix	75.69 (7)
O3^x—Ga1—O3	107.7 (12)	O2^xv—Ga2—La^xx	96.9 (5)
O3^viii—Ga1—O3	162.3 (10)	O2—Ga2—La^xx	88.1 (6)
O3^ix—Ga1—O3^xi	85.7 (8)	O2^iv—Ga2—La^xx	157.7 (6)
O3^x—Ga1—O3^xi	162.3 (10)	O1^xvi—Ga2—La^xx	43.4 (18)
O3^viii—Ga1—O3^xi	83.9 (10)	O1^xvii—Ga2—La^xx	40 (2)
O3—Ga1—O3^xi	85.7 (8)	O1^xviii—Ga2—La^xx	41.8 (11)
O3^ix—Ga1—O3^iii	162.3 (10)	La^xv—Ga2—La^xx	93.046 (9)
O3^x—Ga1—O3^iii	85.7 (8)	La—Ga2—La^xx	139.647 (8)
O3^viii—Ga1—O3^iii	85.7 (8)	La^xix—Ga2—La^xx	139.647 (8)
O3—Ga1—O3^iii	83.9 (10)	O2^xv—Ga2—La^xxi	157.7 (6)
O3^xi—Ga1—O3^iii	107.7 (12)	O2—Ga2—La^xxi	96.9 (5)
O3^ix—Ga1—La^x	41.9 (5)	O2^iv—Ga2—La^xxi	88.1 (6)
O3^x—Ga1—La^x	41.9 (5)	O1^xvi—Ga2—La^xxi	40 (2)
O3^viii—Ga1—La^x	98.8 (5)	O1^xvii—Ga2—La^xxi	41.8 (11)
O3—Ga1—La^x	98.8 (5)	O1^xviii—Ga2—La^xxi	43.4 (18)
O3^xi—Ga1—La^x	126.2 (6)	La^xv—Ga2—La^xxi	139.647 (9)
O3^iii—Ga1—La^x	126.2 (6)	La—Ga2—La^xxi	93.045 (10)
O3^ix—Ga1—La^xi	98.8 (5)	La^xix—Ga2—La^xxi	139.645 (9)
O3^x—Ga1—La^xi	126.2 (6)	La^xx—Ga2—La^xxi	70.58 (7)
O3^viii—Ga1—La^xi	41.9 (5)	O2^xv—Ga2—La^xxii	88.1 (6)
O3—Ga1—La^xi	126.2 (6)	O2—Ga2—La^xxii	157.7 (6)
O3^xi—Ga1—La^xi	41.9 (5)	O2^iv—Ga2—La^xxii	96.9 (5)
O3^iii—Ga1—La^xi	98.8 (5)	O1^xvi—Ga2—La^xxii	41.8 (11)
La^x—Ga1—La^xi	120.0	O1^xvii—Ga2—La^xxii	43.4 (18)
O3^ix—Ga1—La	126.2 (6)	O1^xviii—Ga2—La^xxii	40 (2)
O3^x—Ga1—La	98.8 (5)	La^xv—Ga2—La^xxii	139.647 (9)
O3^viii—Ga1—La	126.2 (6)	La—Ga2—La^xxii	139.646 (8)
O3—Ga1—La	41.9 (5)	La^xix—Ga2—La^xxii	93.044 (10)
O3^xi—Ga1—La	98.8 (5)	La^xx—Ga2—La^xxii	70.58 (7)
O3^iii—Ga1—La	41.9 (5)	La^xxi—Ga2—La^xxii	70.58 (7)
La^x—Ga1—La	120.0	O3^xxiii—Ga3—O3^iii	131.9 (12)
La^xi—Ga1—La	120.0	O3^xxiii—Ga3—O2^xi	108.0 (6)
O3^ix—Ta—O3^x	83.9 (10)	O3^iii—Ga3—O2^xi	101.8 (8)
O3^ix—Ta—O3^viii	107.7 (12)	O3^xxiii—Ga3—O2^xxiv	101.8 (8)
O3^x—Ta—O3^viii	85.7 (8)	O3^iii—Ga3—O2^xxiv	108.0 (6)
O3^ix—Ta—O3	85.7 (8)	O2^xi—Ga3—O2^xxiv	102.0 (12)
O3^x—Ta—O3	107.7 (12)	O3^xxiii—Ga3—Ta^xxi	34.5 (4)
O3^viii—Ta—O3	162.3 (10)	O3^iii—Ga3—Ta^xxi	109.6 (7)
O3^ix—Ta—O3^xi	85.7 (8)	O2^xi—Ga3—Ta^xxi	142.3 (5)
O3^x—Ta—O3^xi	162.3 (10)	O2^xxiv—Ga3—Ta^xxi	87.9 (5)
O3^viii—Ta—O3^xi	83.9 (10)	O3^xxiii—Ga3—Ta	109.6 (7)
O3—Ta—O3^xi	85.7 (8)	O3^iii—Ga3—Ta	34.5 (4)
O3^ix—Ta—O3^iii	162.3 (10)	O2^xi—Ga3—Ta	87.9 (5)
O3^x—Ta—O3^iii	85.7 (8)	O2^xxiv—Ga3—Ta	142.3 (5)
O3^viii—Ta—O3^iii	85.7 (8)	Ta^xxi—Ga3—Ta	106.34 (8)
O3—Ta—O3^iii	83.9 (10)	Ga2^xxv—O1—La^xxvi	107 (2)
O3^xi—Ta—O3^iii	107.7 (12)	Ga2^xxv—O1—La^xxvii	110 (3)
O3^ix—Ta—Ga3^xii	98.1 (6)	La^xxvi—O1—La^xxvii	110.1 (10)
O3^x—Ta—Ga3^xii	54.0 (6)	Ga2^xxv—O1—La^xi	108.8 (13)
O3^viii—Ta—Ga3^xii	31.9 (5)	La^xxvi—O1—La^xi	109 (3)
O3—Ta—Ga3^xii	160.3 (6)	La^xxvii—O1—La^xi	111.7 (19)
O3^xi—Ta—Ga3^xii	113.8 (5)	Ga2—O2—Ga3^ix	121.3 (9)
O3^iii—Ta—Ga3^xii	87.2 (5)	Ga2—O2—La^xv	104.8 (7)
O3^ix—Ta—Ga3^x	31.9 (5)	Ga3^ix—O2—La^xv	118.3 (7)
O3^x—Ta—Ga3^x	113.8 (5)	Ga2—O2—La	91.5 (7)
O3^viii—Ta—Ga3^x	98.1 (6)	Ga3^ix—O2—La	113.1 (7)
O3—Ta—Ga3^x	87.2 (5)	La^xv—O2—La	103.5 (6)
O3^xi—Ta—Ga3^x	54.0 (6)	Ga3^xiii—O3—Ta	113.7 (8)
O3^iii—Ta—Ga3^x	160.3 (6)	Ga3^xiii—O3—Ga1	113.7 (8)
Ga3^xii—Ta—Ga3^x	106.34 (8)	Ta—O3—Ga1	0.0
O3^ix—Ta—Ga3^ix	113.8 (5)	Ga3^xiii—O3—La	136.6 (8)
O3^x—Ta—Ga3^ix	31.9 (5)	Ta—O3—La	105.2 (7)
O3^viii—Ta—Ga3^ix	87.2 (5)	Ga1—O3—La	105.2 (7)
O3—Ta—Ga3^ix	98.1 (6)

Symmetry codes: (i) y−1, x−1, −z; (ii) −x+y, −x+1, z; (iii) x−y, −y, −z; (iv) −y−1, x−y, z; (v) −x−1, −x+y, −z; (vi) x−y−1, −y, −z; (vii) x−1, y, z; (viii) −x, −x+y, −z; (ix) −y, x−y, z; (x) y, x, −z; (xi) −x+y, −x, z; (xii) y, x, −z+1; (xiii) −y, x−y, z−1; (xiv) x, y, z−1; (xv) −x+y−1, −x−1, z; (xvi) x−y−1, −y, −z+1; (xvii) −x, −x+y, −z+1; (xviii) y−1, x−1, −z+1; (xix) y−1, x, −z; (xx) −x+y−1, −x−1, z+1; (xxi) x, y, z+1; (xxii) y−1, x, −z+1; (xxiii) −x+y, −x, z+1; (xxiv) x−y, −y, −z+1; (xxv) y+1, x+1, −z+1; (xxvi) y+1, x+1, −z; (xxvii) x+1, y, z.

(9.5d3)

Crystal data

Ga5.54La3O14Ta0.46	V = 281.2 Å^3
Mr = 1110.22	Z = 1
?, ?	F(000) = 488
a = 8.022 Å	Dx = 6.556 Mg m^−3
b = 8.022 Å	Ag Kα radiation, λ = 0.56000 Å
c = 5.046 Å	µ = 15.15 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.000
Graphite monochromator	θmax = 22.9°, θmin = 3.2°
426 measured reflections	h = −10→9
426 independent reflections	k = −11→11
426 reflections with I > 2σ(I)	l = −6→6

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.047	(Δ/σ)max = 2.591
wR(F^2) = 0.143	Δρmax = 2.44 e Å^−3
S = 1.29	Δρmin = −4.40 e Å^−3
426 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
39 parameters	Extinction coefficient: 0.033 (9)
0 restraints	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.07 (11)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La	−0.43218 (15)	0.0000	0.0000	0.0095 (5)
Ga1	0.0000	0.0000	0.0000	0.0111 (6)	0.50
Ta	0.0000	0.0000	0.0000	0.0111 (6)	0.50
Ga2	−0.6667	−0.3333	−0.5262 (5)	0.0087 (7)
Ga3	−0.2332 (3)	−0.2332 (3)	−0.5000	0.0125 (6)
O1	−0.3333	0.3333	0.162 (3)	0.017 (4)
O2	−0.700 (4)	−0.151 (3)	0.315 (3)	0.045 (6)
O3	−0.2170 (19)	−0.071 (3)	−0.241 (2)	0.031 (4)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La	0.0119 (6)	0.0083 (6)	0.0071 (7)	0.0042 (3)	−0.0011 (2)	−0.0022 (4)
Ga1	0.0123 (8)	0.0123 (8)	0.0087 (10)	0.0062 (4)	0.000	0.000
Ta	0.0123 (8)	0.0123 (8)	0.0087 (10)	0.0062 (4)	0.000	0.000
Ga2	0.0102 (8)	0.0102 (8)	0.0057 (13)	0.0051 (4)	0.000	0.000
Ga3	0.0091 (8)	0.0091 (8)	0.0164 (12)	0.0025 (9)	0.0036 (4)	−0.0036 (4)
O1	0.025 (7)	0.025 (7)	0.000 (8)	0.013 (3)	0.000	0.000
O2	0.072 (15)	0.058 (12)	0.037 (8)	0.056 (13)	0.034 (9)	0.029 (9)
O3	0.010 (5)	0.061 (12)	0.029 (7)	0.023 (6)	−0.016 (6)	−0.040 (8)

Geometric parameters (Å, º)

La—O3^i	2.403 (11)	Ta—Ga3^v	3.1410 (16)
La—O3	2.403 (11)	Ta—Ga3^xi	3.1411 (16)
La—O2^i	2.45 (2)	Ta—Ga3^xii	3.1411 (16)
La—O2	2.45 (2)	Ta—Ga3	3.1411 (16)
La—O1^ii	2.516 (6)	Ta—Ga3^x	3.1411 (16)
La—O1	2.516 (6)	Ta—Ga3^ix	3.1411 (16)
La—O2^iii	2.82 (2)	Ga2—O2^xiii	1.800 (17)
La—O2^iv	2.82 (2)	Ga2—O2^xiv	1.801 (17)
La—Ga2^v	3.3725 (19)	Ga2—O2^xv	1.801 (17)
La—Ga2^vi	3.3726 (19)	Ga2—O1^ii	1.836 (18)
La—Ga1	3.4669 (12)	Ga2—La^xvi	3.3725 (19)
La—Ta	3.4669 (12)	Ga2—La^xv	3.3725 (19)
Ga1—O3^vii	1.959 (11)	Ga2—La^xiv	3.3726 (19)
Ga1—O3^viii	1.959 (11)	Ga2—La^ii	3.5650 (19)
Ga1—O3	1.960 (11)	Ga2—La^iii	3.5650 (19)
Ga1—O3^i	1.960 (11)	Ga3—O3	1.800 (13)
Ga1—O3^ix	1.960 (11)	Ga3—O3^xvii	1.800 (13)
Ga1—O3^x	1.960 (11)	Ga3—O2^xv	1.812 (18)
Ga1—La^vii	3.4669 (12)	Ga3—O2^xviii	1.812 (18)
Ga1—La^ix	3.4670 (12)	Ga3—Ta^xiv	3.1411 (16)
Ta—O3^vii	1.959 (11)	O1—Ga2^iv	1.836 (18)
Ta—O3^viii	1.959 (11)	O1—La^xix	2.516 (6)
Ta—O3	1.960 (11)	O1—La^iv	2.516 (6)
Ta—O3^i	1.960 (11)	O2—Ga2^v	1.801 (17)
Ta—O3^ix	1.960 (11)	O2—Ga3^xx	1.812 (18)
Ta—O3^x	1.960 (11)	O2—La^ii	2.82 (2)
O3^i—La—O3	66.3 (5)	O3^vii—Ta—Ga3^xi	53.9 (5)
O3^i—La—O2^i	140.0 (6)	O3^viii—Ta—Ga3^xi	31.8 (4)
O3—La—O2^i	106.7 (6)	O3—Ta—Ga3^xi	160.1 (5)
O3^i—La—O2	106.7 (6)	O3^i—Ta—Ga3^xi	86.8 (3)
O3—La—O2	140.0 (6)	O3^ix—Ta—Ga3^xi	114.1 (4)
O2^i—La—O2	102.0 (9)	O3^x—Ta—Ga3^xi	98.4 (5)
O3^i—La—O1^ii	122.4 (5)	Ga3^v—Ta—Ga3^xi	62.11 (7)
O3—La—O1^ii	80.0 (4)	O3^vii—Ta—Ga3^xii	86.8 (3)
O2^i—La—O1^ii	92.7 (5)	O3^viii—Ta—Ga3^xii	53.9 (5)
O2—La—O1^ii	71.4 (5)	O3—Ta—Ga3^xii	114.1 (4)
O3^i—La—O1	80.0 (4)	O3^i—Ta—Ga3^xii	31.8 (4)
O3—La—O1	122.4 (5)	O3^ix—Ta—Ga3^xii	98.4 (5)
O2^i—La—O1	71.4 (5)	O3^x—Ta—Ga3^xii	160.1 (5)
O2—La—O1	92.7 (5)	Ga3^v—Ta—Ga3^xii	62.11 (7)
O1^ii—La—O1	155.02 (8)	Ga3^xi—Ta—Ga3^xii	62.11 (7)
O3^i—La—O2^iii	63.7 (7)	O3^vii—Ta—Ga3	98.4 (5)
O3—La—O2^iii	79.6 (5)	O3^viii—Ta—Ga3	160.1 (5)
O2^i—La—O2^iii	156.2 (3)	O3—Ta—Ga3	31.8 (4)
O2—La—O2^iii	63.5 (8)	O3^i—Ta—Ga3	114.1 (4)
O1^ii—La—O2^iii	65.4 (5)	O3^ix—Ta—Ga3	86.8 (3)
O1—La—O2^iii	125.3 (5)	O3^x—Ta—Ga3	53.9 (5)
O3^i—La—O2^iv	79.6 (5)	Ga3^v—Ta—Ga3	106.88 (8)
O3—La—O2^iv	63.7 (7)	Ga3^xi—Ta—Ga3	145.34 (3)
O2^i—La—O2^iv	63.5 (8)	Ga3^xii—Ta—Ga3	145.34 (3)
O2—La—O2^iv	156.2 (3)	O3^vii—Ta—Ga3^x	114.1 (4)
O1^ii—La—O2^iv	125.3 (5)	O3^viii—Ta—Ga3^x	98.4 (5)
O1—La—O2^iv	65.4 (5)	O3—Ta—Ga3^x	86.8 (3)
O2^iii—La—O2^iv	136.3 (7)	O3^i—Ta—Ga3^x	160.1 (5)
O3^i—La—Ga2^v	85.3 (4)	O3^ix—Ta—Ga3^x	53.9 (5)
O3—La—Ga2^v	110.6 (4)	O3^x—Ta—Ga3^x	31.8 (4)
O2^i—La—Ga2^v	130.7 (4)	Ga3^v—Ta—Ga3^x	145.35 (3)
O2—La—Ga2^v	31.2 (4)	Ga3^xi—Ta—Ga3^x	106.88 (8)
O1^ii—La—Ga2^v	64.1 (4)	Ga3^xii—Ta—Ga3^x	145.34 (3)
O1—La—Ga2^v	111.5 (4)	Ga3—Ta—Ga3^x	62.11 (7)
O2^iii—La—Ga2^v	32.3 (3)	O3^vii—Ta—Ga3^ix	160.1 (5)
O2^iv—La—Ga2^v	164.9 (3)	O3^viii—Ta—Ga3^ix	114.1 (4)
O3^i—La—Ga2^vi	110.6 (4)	O3—Ta—Ga3^ix	53.9 (5)
O3—La—Ga2^vi	85.3 (4)	O3^i—Ta—Ga3^ix	98.4 (5)
O2^i—La—Ga2^vi	31.2 (4)	O3^ix—Ta—Ga3^ix	31.8 (4)
O2—La—Ga2^vi	130.7 (4)	O3^x—Ta—Ga3^ix	86.8 (3)
O1^ii—La—Ga2^vi	111.5 (4)	Ga3^v—Ta—Ga3^ix	145.34 (3)
O1—La—Ga2^vi	64.1 (4)	Ga3^xi—Ta—Ga3^ix	145.34 (3)
O2^iii—La—Ga2^vi	164.9 (3)	Ga3^xii—Ta—Ga3^ix	106.88 (8)
O2^iv—La—Ga2^vi	32.3 (3)	Ga3—Ta—Ga3^ix	62.11 (7)
Ga2^v—La—Ga2^vi	161.43 (4)	Ga3^x—Ta—Ga3^ix	62.11 (7)
O3^i—La—Ga1	33.1 (2)	O2^xiii—Ga2—O2^xiv	101.6 (7)
O3—La—Ga1	33.1 (2)	O2^xiii—Ga2—O2^xv	101.6 (7)
O2^i—La—Ga1	129.0 (5)	O2^xiv—Ga2—O2^xv	101.6 (7)
O2—La—Ga1	129.0 (5)	O2^xiii—Ga2—O1^ii	116.5 (5)
O1^ii—La—Ga1	102.49 (4)	O2^xiv—Ga2—O1^ii	116.5 (5)
O1—La—Ga1	102.49 (4)	O2^xv—Ga2—O1^ii	116.5 (5)
O2^iii—La—Ga1	68.2 (4)	O2^xiii—Ga2—La^xvi	44.8 (7)
O2^iv—La—Ga1	68.2 (4)	O2^xiv—Ga2—La^xvi	56.9 (8)
Ga2^v—La—Ga1	99.28 (2)	O2^xv—Ga2—La^xvi	107.9 (5)
Ga2^vi—La—Ga1	99.28 (2)	O1^ii—Ga2—La^xvi	135.14 (3)
O3^i—La—Ta	33.1 (2)	O2^xiii—Ga2—La^xv	56.9 (8)
O3—La—Ta	33.1 (2)	O2^xiv—Ga2—La^xv	107.9 (5)
O2^i—La—Ta	129.0 (5)	O2^xv—Ga2—La^xv	44.8 (7)
O2—La—Ta	129.0 (5)	O1^ii—Ga2—La^xv	135.14 (3)
O1^ii—La—Ta	102.49 (4)	La^xvi—Ga2—La^xv	75.30 (5)
O1—La—Ta	102.49 (4)	O2^xiii—Ga2—La^xiv	107.9 (5)
O2^iii—La—Ta	68.2 (4)	O2^xiv—Ga2—La^xiv	44.8 (7)
O2^iv—La—Ta	68.2 (4)	O2^xv—Ga2—La^xiv	56.9 (8)
Ga2^v—La—Ta	99.28 (2)	O1^ii—Ga2—La^xiv	135.14 (3)
Ga2^vi—La—Ta	99.28 (2)	La^xvi—Ga2—La^xiv	75.30 (5)
Ga1—La—Ta	0.0	La^xv—Ga2—La^xiv	75.30 (5)
O3^vii—Ga1—O3^viii	85.5 (5)	O2^xiii—Ga2—La^ii	87.7 (7)
O3^vii—Ga1—O3	107.6 (11)	O2^xiv—Ga2—La^ii	96.6 (6)
O3^viii—Ga1—O3	162.5 (11)	O2^xv—Ga2—La^ii	157.3 (6)
O3^vii—Ga1—O3^i	85.5 (5)	O1^ii—Ga2—La^ii	41.86 (3)
O3^viii—Ga1—O3^i	85.5 (5)	La^xvi—Ga2—La^ii	93.287 (8)
O3—Ga1—O3^i	84.2 (6)	La^xv—Ga2—La^ii	139.757 (5)
O3^vii—Ga1—O3^ix	162.5 (11)	La^xiv—Ga2—La^ii	139.756 (5)
O3^viii—Ga1—O3^ix	84.2 (6)	O2^xiii—Ga2—La^iii	96.6 (6)
O3—Ga1—O3^ix	85.5 (5)	O2^xiv—Ga2—La^iii	157.3 (6)
O3^i—Ga1—O3^ix	107.6 (11)	O2^xv—Ga2—La^iii	87.7 (7)
O3^vii—Ga1—O3^x	84.2 (6)	O1^ii—Ga2—La^iii	41.85 (3)
O3^viii—Ga1—O3^x	107.6 (11)	La^xvi—Ga2—La^iii	139.757 (5)
O3—Ga1—O3^x	85.5 (5)	La^xv—Ga2—La^iii	93.287 (7)
O3^i—Ga1—O3^x	162.5 (11)	La^xiv—Ga2—La^iii	139.756 (5)
O3^ix—Ga1—O3^x	85.5 (5)	La^ii—Ga2—La^iii	70.60 (5)
O3^vii—Ga1—La	98.7 (5)	O2^xiii—Ga2—La	157.3 (6)
O3^viii—Ga1—La	126.2 (6)	O2^xiv—Ga2—La	87.7 (7)
O3—Ga1—La	42.1 (3)	O2^xv—Ga2—La	96.6 (6)
O3^i—Ga1—La	42.1 (3)	O1^ii—Ga2—La	41.86 (3)
O3^ix—Ga1—La	98.7 (5)	La^xvi—Ga2—La	139.757 (5)
O3^x—Ga1—La	126.2 (6)	La^xv—Ga2—La	139.756 (5)
O3^vii—Ga1—La^vii	42.1 (3)	La^xiv—Ga2—La	93.287 (8)
O3^viii—Ga1—La^vii	98.7 (5)	La^ii—Ga2—La	70.60 (5)
O3—Ga1—La^vii	98.7 (5)	La^iii—Ga2—La	70.60 (5)
O3^i—Ga1—La^vii	126.2 (6)	O3—Ga3—O3^xvii	133.2 (10)
O3^ix—Ga1—La^vii	126.2 (6)	O3—Ga3—O2^xv	107.5 (7)
O3^x—Ga1—La^vii	42.1 (3)	O3^xvii—Ga3—O2^xv	101.6 (7)
La—Ga1—La^vii	120.0	O3—Ga3—O2^xviii	101.6 (7)
O3^vii—Ga1—La^ix	126.2 (6)	O3^xvii—Ga3—O2^xviii	107.5 (7)
O3^viii—Ga1—La^ix	42.1 (3)	O2^xv—Ga3—O2^xviii	101.7 (16)
O3—Ga1—La^ix	126.2 (6)	O3—Ga3—Ta	35.0 (4)
O3^i—Ga1—La^ix	98.7 (5)	O3^xvii—Ga3—Ta	110.3 (6)
O3^ix—Ga1—La^ix	42.1 (3)	O2^xv—Ga3—Ta	142.2 (6)
O3^x—Ga1—La^ix	98.7 (5)	O2^xviii—Ga3—Ta	87.8 (6)
La—Ga1—La^ix	120.0	O3—Ga3—Ta^xiv	110.3 (6)
La^vii—Ga1—La^ix	120.0	O3^xvii—Ga3—Ta^xiv	35.0 (4)
O3^vii—Ta—O3^viii	85.5 (5)	O2^xv—Ga3—Ta^xiv	87.8 (6)
O3^vii—Ta—O3	107.6 (11)	O2^xviii—Ga3—Ta^xiv	142.2 (6)
O3^viii—Ta—O3	162.5 (11)	Ta—Ga3—Ta^xiv	106.88 (8)
O3^vii—Ta—O3^i	85.5 (5)	Ga2^iv—O1—La	109.0 (4)
O3^viii—Ta—O3^i	85.5 (5)	Ga2^iv—O1—La^xix	109.0 (4)
O3—Ta—O3^i	84.2 (6)	La—O1—La^xix	109.9 (4)
O3^vii—Ta—O3^ix	162.5 (11)	Ga2^iv—O1—La^iv	109.0 (4)
O3^viii—Ta—O3^ix	84.2 (6)	La—O1—La^iv	109.9 (4)
O3—Ta—O3^ix	85.5 (5)	La^xix—O1—La^iv	109.9 (4)
O3^i—Ta—O3^ix	107.6 (11)	Ga2^v—O2—Ga3^xx	121.8 (9)
O3^vii—Ta—O3^x	84.2 (6)	Ga2^v—O2—La	104.0 (10)
O3^viii—Ta—O3^x	107.6 (11)	Ga3^xx—O2—La	118.9 (9)
O3—Ta—O3^x	85.5 (5)	Ga2^v—O2—La^ii	90.9 (8)
O3^i—Ta—O3^x	162.5 (11)	Ga3^xx—O2—La^ii	113.8 (11)
O3^ix—Ta—O3^x	85.5 (5)	La—O2—La^ii	102.5 (6)
O3^vii—Ta—Ga3^v	31.8 (4)	Ga3—O3—Ta	113.3 (7)
O3^viii—Ta—Ga3^v	86.8 (3)	Ga3—O3—Ga1	113.3 (7)
O3—Ta—Ga3^v	98.4 (5)	Ta—O3—Ga1	0.0
O3^i—Ta—Ga3^v	53.9 (5)	Ga3—O3—La	137.5 (7)
O3^ix—Ta—Ga3^v	160.1 (5)	Ta—O3—La	104.8 (4)
O3^x—Ta—Ga3^v	114.1 (4)	Ga1—O3—La	104.8 (4)

Symmetry codes: (i) x−y, −y, −z; (ii) y−1, x, −z; (iii) −x+y−1, −x−1, z; (iv) y, x+1, −z; (v) x, y, z+1; (vi) y, x+1, −z−1; (vii) y, x, −z; (viii) −x, −x+y, −z; (ix) −x+y, −x, z; (x) −y, x−y, z; (xi) −y, x−y, z+1; (xii) −x+y, −x, z+1; (xiii) −y−1, x−y, z−1; (xiv) x, y, z−1; (xv) −x+y−1, −x−1, z−1; (xvi) y−1, x, −z−1; (xvii) y, x, −z−1; (xviii) −x−1, −x+y−1, −z; (xix) −x+y−1, −x, z; (xx) −y−1, x−y, z+1.

(9.67d3)

Crystal data

Ga5.50La3Nb0.50O14	V = 281.5 Å^3
Mr = 1070.65	Z = 1
?, ?	F(000) = 474
a = 8.024 Å	Dx = 6.316 Mg m^−3
b = 8.024 Å	? radiation, λ = 0.54920 Å
c = 5.049 Å	µ = 14.34 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.000
Graphite monochromator	θmax = 35.2°, θmin = 3.9°
656 measured reflections	h = −12→12
656 independent reflections	k = −12→11
653 reflections with I > 2σ(I)	l = −8→8

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.038	(Δ/σ)max < 0.001
wR(F^2) = 0.107	Δρmax = 2.07 e Å^−3
S = 0.89	Δρmin = −2.08 e Å^−3
656 reflections	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
39 parameters	Extinction coefficient: 0.014 (5)
0 restraints	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: −0.01 (7)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La	0.43162 (8)	0.0000	0.0000	0.00945 (17)
Ga1	0.0000	0.0000	0.0000	0.0120 (4)	0.50
Ga2	0.6667	0.3333	0.4748 (4)	0.0088 (3)
Ga3	0.76729 (16)	0.0000	0.5000	0.0107 (3)
Nb	0.0000	0.0000	0.0000	0.0120 (4)	0.50
O1	0.6667	0.3333	−0.173 (3)	0.014 (2)
O2	0.694 (2)	0.1477 (16)	0.311 (3)	0.048 (4)
O3	0.2180 (11)	0.0714 (15)	−0.240 (3)	0.038 (3)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La	0.0117 (2)	0.0077 (3)	0.0076 (3)	0.00386 (13)	0.00095 (11)	0.0019 (2)
Ga1	0.0117 (5)	0.0117 (5)	0.0126 (13)	0.0059 (2)	0.000	0.000
Ga2	0.0100 (4)	0.0100 (4)	0.0062 (9)	0.00501 (18)	0.000	0.000
Ga3	0.0080 (3)	0.0106 (5)	0.0145 (8)	0.0053 (2)	−0.0031 (2)	−0.0062 (4)
Nb	0.0117 (5)	0.0117 (5)	0.0126 (13)	0.0059 (2)	0.000	0.000
O1	0.020 (3)	0.020 (3)	0.002 (7)	0.0101 (16)	0.000	0.000
O2	0.084 (9)	0.046 (7)	0.043 (9)	0.055 (7)	−0.045 (7)	−0.034 (6)
O3	0.015 (3)	0.057 (6)	0.053 (8)	0.026 (3)	0.020 (4)	0.045 (6)

Bond lengths (Å)

La—O3^i	2.392 (9)	O2—O3^xi	3.36 (2)
La—O3	2.392 (9)	O2—O1^ii	3.549 (11)
La—O2	2.410 (11)	O2—Nb^xix	3.575 (13)
La—O2^i	2.410 (11)	O2—Ga1^xix	3.575 (13)
La—O1	2.535 (5)	O2—Ga2^xxiv	3.644 (15)
La—O1^ii	2.535 (5)	O2—O2^i	3.75 (2)
La—O2^ii	2.842 (17)	O2—O3^i	3.848 (15)
La—O2^iii	2.842 (17)	O2—La^x	3.933 (17)
La—Ga2	3.3784 (14)	O2—Ga3^xliv	4.134 (12)
La—Ga2^ii	3.3784 (14)	O2—Ga3^iii	4.199 (13)
La—Ga1	3.4632 (6)	O2—O3^x	4.218 (19)
La—Nb	3.4632 (6)	O2—La^xv	4.211 (11)
Ga1—O3	1.964 (9)	O2—La^iii	4.276 (11)
Ga1—O3^iv	1.964 (9)	O2—Ga3^xxvi	4.381 (14)
Ga1—O3^v	1.964 (9)	O2—Ga3^xv	4.410 (10)
Ga1—O3^vi	1.964 (9)	O2—O3^xviii	4.373 (19)
Ga1—O3^i	1.964 (9)	O2—O3	4.515 (16)
Ga1—O3^vii	1.964 (9)	O2—Ga2^xxvi	4.517 (15)
Ga1—La^iv	3.4631 (6)	O2—O2^xxiv	4.492 (13)
Ga1—La^vi	3.4631 (6)	O2—O2^xv	4.492 (13)
Ga1—O2^viii	3.575 (13)	O2—La^xl	4.515 (9)
Ga1—O2^ix	3.575 (13)	O2—O2^xlv	4.66 (2)
Ga1—O2^ii	3.575 (13)	O2—O3^xl	4.660 (15)
Ga2—O1^x	1.780 (14)	O2—O1^xii	4.771 (15)
Ga2—O2^xi	1.813 (10)	O2—Ga1^xx	4.737 (12)
Ga2—O2^iii	1.813 (10)	O2—Nb^xx	4.737 (12)
Ga2—O2	1.813 (10)	O2—O3^xxi	4.771 (14)
Ga2—O1	3.269 (14)	O2—Ga2^xv	4.842 (12)
Ga2—La^xii	3.3784 (14)	O2—Ga3^xlvi	4.871 (10)
Ga2—La^iii	3.3784 (14)	O2—Ga3^xxiv	4.926 (15)
Ga2—O3^xiii	3.447 (8)	O2—O2^xxvi	5.0490
Ga2—O3^xiv	3.447 (8)	O2—O2^x	5.0490
Ga2—O3^x	3.447 (8)	O2—O3^xiv	5.117 (12)
Ga2—La^xv	3.5633 (15)	O2—O2^ii	5.133 (18)
Ga3—O3^xvi	1.805 (9)	O2—O2^xii	5.133 (18)
Ga3—O3^xiii	1.805 (9)	O2—O3^xx	5.073 (14)
Ga3—O2^xvii	1.831 (12)	O2—O2^xlvii	5.20 (2)
Ga3—O2	1.832 (12)	O2—O2^xli	5.20 (2)
Ga3—O3^xii	2.542 (13)	O2—O2^xxix	5.28 (3)
Ga3—O3^xviii	2.543 (13)	O2—La^xiv	5.286 (12)
Ga3—Nb^xix	3.1400 (7)	O2—Ga2^ii	5.276 (10)
Ga3—Nb^xx	3.1400 (7)	O2—O3^vi	5.315 (16)
Ga3—O1^ii	3.563 (6)	O2—O3^iii	5.364 (19)
Ga3—O1^x	3.563 (6)	O2—O3^xix	5.323 (18)
Ga3—O3^xxi	3.613 (9)	O2—O3^ix	5.357 (14)
Ga3—O3^xx	3.613 (9)	O2—O3^xxxiv	5.461 (16)
Nb—O3	1.964 (9)	O2—O3^xlvii	5.456 (18)
Nb—O3^iv	1.964 (9)	O2—O3^xv	5.459 (15)
Nb—O3^v	1.964 (9)	O2—La^xviii	5.481 (14)
Nb—O3^vi	1.964 (9)	O2—O2^xlviii	5.565 (19)
Nb—O3^i	1.964 (9)	O2—O2^xliv	5.565 (19)
Nb—O3^vii	1.964 (9)	O2—O1^xxiv	5.57 (2)
Nb—Ga3^ii	3.1399 (7)	O2—Ga3^xxxv	5.738 (17)
Nb—Ga3^xxii	3.1399 (7)	O2—O2^xvi	5.764 (16)
Nb—Ga3^xxiii	3.1399 (7)	O2—O2^ix	5.764 (16)
Nb—Ga3^iii	3.1400 (7)	O2—O2^xxiii	5.770 (8)
Nb—Ga3^xxiv	3.1400 (7)	O2—O2^xxvii	5.770 (8)
Nb—Ga3^xxv	3.1400 (7)	O2—O2^xiv	5.770 (8)
O1—Ga2^xxvi	1.780 (14)	O2—O2^xiii	5.770 (8)
O1—La^xii	2.535 (5)	O2—La^ii	5.874 (11)
O1—La^iii	2.535 (5)	O2—O3^xvii	6.059 (18)
O1—O2	2.924 (19)	O2—O2^xlix	6.03 (2)
O1—O2^xi	2.924 (19)	O2—O2^xl	6.03 (2)
O1—O2^iii	2.924 (19)	O2—O3^xxxvii	6.077 (16)
O1—O2^xxvi	3.067 (18)	O2—O3^xxxi	6.08 (2)
O1—O2^xxiii	3.067 (18)	O2—O1^vi	6.187 (10)
O1—O2^xxvii	3.067 (18)	O3—Ga3^xxiii	1.805 (9)
O1—O3^xi	3.151 (9)	O3—Ga3^ii	2.542 (13)
O1—O3^iii	3.151 (9)	O3—O3^i	2.62 (2)
O1—O3	3.151 (9)	O3—O3^v	2.675 (13)
O1—Ga3^xxvi	3.563 (6)	O3—O3^iv	2.675 (13)
O1—Ga3^xii	3.563 (6)	O3—O2^ix	2.803 (12)
O1—Ga3^xxiii	3.563 (6)	O3—O2^ii	2.809 (19)
O1—O2^i	3.549 (11)	O3—O3^xxxii	2.80 (3)
O1—O2^xii	3.549 (11)	O3—O2^xxiii	2.948 (15)
O1—O2^ix	3.549 (11)	O3—O3^vi	3.17 (2)
O1—O3^xii	4.330 (10)	O3—O2^iii	3.36 (2)
O1—O3^i	4.330 (10)	O3—O3^xxxviii	3.32 (2)
O1—O3^ix	4.330 (10)	O3—Ga2^xxvi	3.447 (8)
O1—Ga3^xv	4.636 (10)	O3—Ga3^xxii	3.613 (9)
O1—Ga3^iii	4.636 (10)	O3—La^iii	3.751 (12)
O1—Nb^xix	4.714 (3)	O3—O2^i	3.848 (15)
O1—Ga1^xix	4.714 (3)	O3—O3^vii	3.881 (18)
O1—Nb^xxviii	4.714 (3)	O3—Ga3^iii	3.938 (14)
O1—Ga1^xxviii	4.714 (3)	O3—Ga2^ii	3.976 (11)
O1—O2^ii	4.771 (15)	O3—O3^l	4.01 (2)
O1—O2^xxix	4.771 (15)	O3—Nb^xxvi	4.135 (13)
O1—O2^xxx	4.771 (15)	O3—Ga1^xxvi	4.135 (13)
O1—La^xxvi	4.808 (12)	O3—O2^xxvi	4.218 (19)
O1—La^xxxi	4.808 (12)	O3—La^vi	4.236 (10)
O1—La^xxiii	4.808 (12)	O3—Ga3^xxiv	4.326 (10)
O1—O3^xxxii	4.816 (15)	O3—O1^ii	4.330 (10)
O1—O3^xxxi	4.816 (15)	O3—La^xxvi	4.355 (12)
O1—O3^xxxiii	4.816 (15)	O3—O2^li	4.373 (19)
O1—O3^xxxiv	4.857 (14)	O3—Ga2^vi	4.544 (9)
O1—O3^xvi	4.857 (14)	O3—O2^xlix	4.660 (15)
O1—O3^vi	4.857 (14)	O3—La^ii	4.680 (9)
O1—Ga2^vi	4.877 (4)	O3—O2^viii	4.771 (14)
O1—Ga2^ii	4.877 (4)	O3—O1^xlii	4.816 (15)
O1—Ga2^xii	4.877 (4)	O3—O1^vi	4.857 (14)
O1—O1^vi	4.949 (10)	O3—Ga3^xxvi	4.899 (8)
O1—O1^xii	4.949 (10)	O3—La^iv	4.888 (8)
O1—O1^ii	4.949 (10)	O3—Ga3^xxv	5.030 (10)
O1—O1^x	5.0490	O3—O3^x	5.0490
O1—O1^xxvi	5.0490	O3—O3^xxvi	5.0490
O1—Ga3^ii	5.261 (4)	O3—O2^xxvii	5.117 (12)
O1—Ga3^xxxv	5.261 (4)	O3—O2^xxii	5.073 (14)
O1—Ga3^xxxvi	5.261 (4)	O3—La^xxiii	5.226 (9)
O1—O3^xxxvii	5.295 (11)	O3—O1^xxxviii	5.295 (11)
O1—O3^xxxviii	5.295 (11)	O3—O2^vi	5.315 (16)
O1—O3^xxxix	5.295 (11)	O3—O2^xi	5.364 (19)
O1—O3^xl	5.344 (9)	O3—O2^xxv	5.323 (18)
O1—O3^xxviii	5.344 (9)	O3—O2^xvi	5.357 (14)
O1—O3^v	5.344 (9)	O3—O1^lii	5.344 (9)
O1—O2^xv	5.57 (2)	O3—O3^iii	5.425 (14)
O1—O2^xvii	5.57 (2)	O3—O3^xi	5.425 (14)
O1—O2^xli	5.57 (2)	O3—Ga2^xxiv	5.417 (9)
O1—O1^xxxviii	5.691 (16)	O3—O2^xxx	5.461 (16)
O1—O1^xlii	5.691 (16)	O3—O2^xli	5.456 (18)
O1—O1^xxxi	5.691 (16)	O3—O2^xxiv	5.459 (15)
O1—O3^xiii	5.654 (16)	O3—Ga2^liii	5.523 (11)
O1—O3^xiv	5.654 (16)	O3—La^xii	5.573 (9)
O1—O3^x	5.654 (16)	O3—La^xxxviii	5.584 (9)
O1—O3^xix	5.779 (8)	O3—O1^xxvi	5.654 (16)
O1—O3^iv	5.779 (8)	O3—O3^liv	5.714 (6)
O1—O3^xliii	5.779 (8)	O3—O3^lv	5.714 (6)
O1—La^xxviii	5.849 (2)	O3—O3^lvi	5.714 (6)
O1—La^xl	5.849 (2)	O3—O3^lvii	5.714 (6)
O1—La^vi	5.849 (2)	O3—O1^xxv	5.779 (8)
O1—O2^xvi	6.187 (10)	O3—La^xlii	5.928 (13)
O1—O2^xxxiv	6.187 (10)	O3—O2^xvii	6.059 (18)
O1—O2^vi	6.187 (10)	O3—O3^ix	6.111 (16)
O1—O3^xxvi	6.235 (18)	O3—O3^xvi	6.111 (16)
O2—O2^iii	2.792 (16)	O3—La^xl	6.084 (8)
O2—O2^xi	2.792 (16)	O3—O2^xxxiii	6.077 (16)
O2—O3^xvi	2.803 (12)	O3—O2^xlii	6.08 (2)
O2—La^xii	2.842 (17)	O3—La^lv	6.094 (12)
O2—O3^xii	2.809 (19)	O3—La^xxv	6.164 (8)
O2—O2^xvii	2.81 (3)	O3—O3^xxxiii	6.191 (13)
O2—O3^xiii	2.948 (15)	O3—O3^xxxvii	6.192 (13)
O2—O1^x	3.067 (18)

Symmetry codes: (i) x−y, −y, −z; (ii) y, x−1, −z; (iii) −x+y+1, −x+1, z; (iv) −x+y, −x, z; (v) −y, x−y, z; (vi) y, x, −z; (vii) −x, −x+y, −z; (viii) x−y−1, −y, −z; (ix) −x+1, −x+y+1, −z; (x) x, y, z+1; (xi) −y+1, x−y, z; (xii) y+1, x, −z; (xiii) −y+1, x−y, z+1; (xiv) −x+y+1, −x+1, z+1; (xv) y+1, x, −z+1; (xvi) −x+1, −x+y, −z; (xvii) x−y, −y, −z+1; (xviii) −x+y+1, −x, z+1; (xix) x+1, y, z; (xx) x+1, y, z+1; (xxi) x−y+1, −y, −z; (xxii) x−1, y, z−1; (xxiii) −x+y+1, −x+1, z−1; (xxiv) y, x−1, −z+1; (xxv) x−1, y, z; (xxvi) x, y, z−1; (xxvii) −y+1, x−y, z−1; (xxviii) x+1, y+1, z; (xxix) −x+2, −x+y+1, −z; (xxx) x−y, −y+1, −z; (xxxi) y+1, x, −z−1; (xxxii) x−y, −y, −z−1; (xxxiii) −x+1, −x+y+1, −z−1; (xxxiv) x−y+1, −y+1, −z; (xxxv) −x+y+2, −x+1, z−1; (xxxvi) x, y+1, z−1; (xxxvii) −x+1, −x+y, −z−1; (xxxviii) y, x, −z−1; (xxxix) x−y+1, −y+1, −z−1; (xl) −x+y+1, −x, z; (xli) −x+1, −x+y+1, −z+1; (xlii) y, x−1, −z−1; (xliii) −y+1, x−y+1, z; (xliv) −x+y+2, −x+1, z; (xlv) −x+2, −x+y+1, −z+1; (xlvi) y+1, x−1, −z+1; (xlvii) −x+1, −x+y, −z+1; (xlviii) −y+1, x−y−1, z; (xlix) −y, x−y−1, z; (l) −x, −x+y, −z−1; (li) −y, x−y−1, z−1; (lii) x−1, y−1, z; (liii) x−1, y−1, z−1; (liv) −y, x−y, z−1; (lv) −x+y, −x, z−1; (lvi) −y, x−y, z+1; (lvii) −x+y, −x, z+1.

(9.9d3)

Crystal data

Ga5.50La3Nb0.50O14	V = 280.7 Å^3
Mr = 1070.65	Z = 1
?, ?	F(000) = 474
a = 8.014 Å	Dx = 6.335 Mg m^−3
b = 8.014 Å	? radiation, λ = 0.54920 Å
c = 5.046 Å	µ = 14.38 mm^−1
α = 90°	T = 293 K
β = 90°	× × mm
γ = 120°

Data collection

Radiation source: fine-focus sealed tube	Rint = 0.000
Graphite monochromator	θmax = 25.5°, θmin = 2.3°
456 measured reflections	h = −12→11
456 independent reflections	k = −8→8
454 reflections with I > 2σ(I)	l = −6→6

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.041	w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.112	(Δ/σ)max < 0.001
S = 0.97	Δρmax = 1.48 e Å^−3
456 reflections	Δρmin = −1.75 e Å^−3
38 parameters	Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881
0 restraints	Absolute structure parameter: 0.09 (9)

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
La	−0.43207 (11)	0.0000	0.0000	0.0114 (3)
Ga1	0.0000	0.0000	0.0000	0.0131 (6)	0.50
Ga2	−0.6667	−0.3333	−0.5250 (5)	0.0092 (4)
Ga3	−0.7672 (2)	0.0000	−0.5000	0.0111 (4)
Nb	0.0000	0.0000	0.0000	0.0131 (6)	0.50
O1	−0.3333	0.3333	0.171 (3)	0.012 (2)
O3	−0.2196 (13)	−0.0719 (18)	−0.240 (3)	0.039 (4)
O2	−0.695 (2)	−0.1488 (18)	0.309 (3)	0.049 (5)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La	0.0124 (3)	0.0084 (4)	0.0122 (6)	0.00421 (18)	−0.00091 (16)	−0.0018 (3)
Ga1	0.0124 (7)	0.0124 (7)	0.0144 (15)	0.0062 (3)	0.000	0.000
Ga2	0.0113 (6)	0.0113 (6)	0.0051 (11)	0.0057 (3)	0.000	0.000
Ga3	0.0098 (5)	0.0122 (7)	0.0119 (10)	0.0061 (4)	0.0025 (3)	0.0051 (6)
Nb	0.0124 (7)	0.0124 (7)	0.0144 (15)	0.0062 (3)	0.000	0.000
O1	0.013 (4)	0.013 (4)	0.010 (7)	0.0063 (18)	0.000	0.000
O3	0.020 (5)	0.046 (7)	0.057 (9)	0.021 (5)	−0.009 (5)	−0.044 (6)
O2	0.083 (12)	0.039 (7)	0.051 (9)	0.050 (9)	0.062 (9)	0.036 (7)

Bond lengths (Å)

La—O3^i	2.382 (9)	O3—O3^xliii	2.81 (3)
La—O3	2.382 (9)	O3—O2^xii	2.803 (15)
La—O2	2.404 (11)	O3—O2^xiv	2.949 (16)
La—O2^i	2.405 (11)	O3—O1^ii	3.137 (10)
La—O1	2.528 (6)	O3—O3^vii	3.17 (3)
La—O1^ii	2.528 (6)	O3—O2^iii	3.34 (3)
La—O2^iii	2.83 (2)	O3—O3^xlviii	3.33 (2)
La—O2^iv	2.83 (2)	O3—Ga3^xi	3.621 (9)
La—Ga2^v	3.3755 (17)	O3—La^iii	3.737 (15)
La—Ga2^vi	3.3755 (17)	O3—O2^i	3.840 (18)
La—Ga1	3.4626 (9)	O3—O3^ix	3.89 (2)
La—Nb	3.4626 (9)	O3—Ga3^xxiv	3.933 (17)
Ga1—O3^vii	1.969 (11)	O3—Ga2^vi	3.968 (14)
Ga1—O3	1.969 (11)	O3—O3^xlix	4.02 (3)
Ga1—O3^viii	1.969 (11)	O3—Ga1^xv	4.139 (15)
Ga1—O3^ix	1.969 (11)	O3—Nb^xv	4.139 (15)
Ga1—O3^i	1.969 (11)	O3—O2^xv	4.21 (2)
Ga1—O3^x	1.969 (11)	O3—La^vii	4.239 (13)
Ga1—La^vii	3.4626 (9)	O3—Ga3^iv	4.323 (12)
Ga1—La^x	3.4626 (9)	O3—La^xv	4.351 (15)
Ga1—O2^xi	3.568 (15)	O3—O2^xli	4.38 (2)
Ga1—O2^xii	3.568 (15)	O3—O2	4.496 (15)
Ga1—O2^iii	3.568 (15)	O3—Ga2^xlviii	4.541 (11)
Ga2—O1^ii	1.787 (17)	O3—La^iv	4.672 (11)
Ga2—O2^xiii	1.812 (11)	O3—O2^xxix	4.655 (16)
Ga2—O2^xiv	1.812 (11)	O3—Ga2^v	4.767 (15)
Ga2—O2^xv	1.812 (11)	O3—O2^l	4.776 (14)
Ga2—O1^xvi	3.259 (17)	O3—O1^xv	4.82 (2)
Ga2—La^xiv	3.3755 (17)	O3—O1^li	4.847 (18)
Ga2—La^xvi	3.3755 (17)	O3—La^x	4.894 (10)
Ga2—La^xv	3.3755 (17)	O3—Ga3^xxiii	5.032 (13)
Ga2—O3^iii	3.434 (10)	O3—O3^v	5.0460
Ga2—O3	3.434 (10)	O3—O3^xv	5.0460
Ga2—O3^xvii	3.434 (10)	O3—O2^xiii	5.102 (13)
Ga2—La^iii	3.5589 (18)	O3—O2^lii	5.081 (13)
Ga3—O3^xvii	1.807 (10)	O3—La^xiv	5.217 (11)
Ga3—O3^xviii	1.807 (10)	O3—O2^vii	5.313 (18)
Ga3—O2^xv	1.837 (10)	O3—O2^xxv	5.341 (16)
Ga3—O2^i	1.837 (10)	O3—O1^iv	5.344 (12)
Ga3—O3^xvi	2.547 (16)	O3—O1^liii	5.297 (13)
Ga3—O3^xix	2.547 (16)	O3—O2^xvii	5.34 (2)
Ga3—Nb^xx	3.1380 (11)	O3—O2^xi	5.32 (2)
Ga3—Nb^xxi	3.1380 (11)	O3—Ga2^iv	5.406 (10)
Ga3—O1^xv	3.563 (8)	O3—O3^iii	5.400 (17)
Ga3—O1^ii	3.563 (8)	O3—O3^xvii	5.400 (17)
Ga3—O3^xx	3.621 (9)	O3—O2^xxvi	5.458 (16)
Ga3—O3^xxii	3.621 (9)	O3—O2^liv	5.46 (2)
Nb—O3^vii	1.969 (11)	O3—O2^lv	5.443 (19)
Nb—O3	1.969 (11)	O3—Ga2^xxxii	5.524 (14)
Nb—O3^viii	1.969 (11)	O3—La^ii	5.555 (10)
Nb—O3^ix	1.969 (11)	O3—La^xlviii	5.588 (10)
Nb—O3^i	1.969 (11)	O3—O1^xvi	5.639 (18)
Nb—O3^x	1.969 (11)	O3—O3^lvi	5.719 (7)
Nb—Ga3^xxiii	3.1380 (11)	O3—O3^xxxix	5.719 (7)
Nb—Ga3^xxiv	3.1380 (11)	O3—O3^lvii	5.719 (7)
Nb—Ga3^iii	3.1380 (11)	O3—O3^lviii	5.719 (7)
Nb—Ga3^xi	3.1380 (11)	O3—O1^vii	5.782 (10)
Nb—Ga3^iv	3.1380 (11)	O3—La^vi	5.923 (17)
Nb—Ga3^vi	3.1380 (11)	O3—O2^xxvii	6.06 (2)
O1—Ga2^iv	1.787 (17)	O3—La^xix	6.070 (10)
O1—La^iv	2.528 (6)	O3—O3^xii	6.088 (19)
O1—La^xix	2.528 (6)	O3—O3^xxv	6.088 (18)
O1—O2^iv	2.90 (2)	O3—O2^vi	6.07 (2)
O1—O2^i	2.90 (2)	O3—La^lviii	6.100 (14)
O1—O2^xxv	2.90 (2)	O3—O2^lix	6.069 (18)
O1—O2^xxvi	3.08 (2)	O3—La^xi	6.163 (9)
O1—O2^xxvii	3.08 (2)	O3—O3^lix	6.174 (16)
O1—O2^xxviii	3.08 (2)	O3—O3^xviii	6.174 (16)
O1—O3^i	3.137 (10)	O2—Ga2^v	1.812 (11)
O1—O3^xxv	3.137 (10)	O2—Ga3^v	1.837 (10)
O1—O3^iv	3.137 (10)	O2—O2^xvii	2.781 (15)
O1—Ga2^vi	3.259 (17)	O2—O2^iii	2.781 (15)
O1—O2^xxix	3.552 (13)	O2—O3^ii	2.80 (2)
O1—O2	3.552 (13)	O2—O2^xxvii	2.83 (4)
O1—O2^xix	3.552 (13)	O2—O3^xxv	2.803 (15)
O1—Ga3^iv	3.563 (8)	O2—La^ii	2.83 (2)
O1—Ga3^v	3.563 (8)	O2—O1^ii	2.90 (2)
O1—Ga3^xxx	3.563 (8)	O2—O3^xl	2.948 (16)
O1—O3	4.316 (12)	O2—O1^xlv	3.08 (2)
O1—O3^xix	4.316 (12)	O2—O3^xvii	3.34 (3)
O1—O3^xxix	4.316 (12)	O2—Nb^xx	3.568 (15)
O1—Ga3^vi	4.625 (12)	O2—Ga1^xx	3.568 (15)
O1—Ga3^xix	4.625 (12)	O2—Ga2^iv	3.650 (17)
O1—Nb^xx	4.706 (3)	O2—O2^i	3.74 (2)
O1—Ga1^xx	4.706 (3)	O2—O3^i	3.840 (18)
O1—Ga1^xxxi	4.706 (3)	O2—La^v	3.94 (2)
O1—Nb^xxxi	4.706 (3)	O2—Ga3^lx	4.129 (13)
O1—O2^iii	4.758 (18)	O2—Ga3^xxiv	4.197 (15)
O1—O2^xxxii	4.758 (18)	O2—O3^v	4.21 (2)
O1—O2^xxxiii	4.758 (18)	O2—La^xlv	4.212 (11)
O1—O3^v	4.82 (2)	O2—La^iii	4.263 (10)
O1—O3^xxxiv	4.82 (2)	O2—O3^xxx	4.38 (2)
O1—O3^xxx	4.82 (2)	O2—Ga3^ii	4.399 (11)
O1—La^v	4.812 (14)	O2—O2^xlv	4.494 (16)
O1—La^xxvi	4.812 (14)	O2—O2^xxvi	4.494 (15)
O1—La^xxx	4.812 (14)	O2—La^xix	4.515 (9)
O1—O3^x	4.847 (18)	O2—O3^xix	4.655 (16)
O1—O3^xvii	4.847 (18)	O2—O2^lxi	4.65 (2)
O1—O3^xxxi	4.847 (18)	O2—Ga1^lxii	4.740 (11)
O1—Ga2^xxxv	4.875 (5)	O2—Nb^lxii	4.740 (11)
O1—Ga2^v	4.875 (5)	O2—O1^lxiii	4.758 (18)
O1—Ga2^xxxvi	4.875 (5)	O2—O3^xlvi	4.776 (14)
O1—O1^xxxvii	4.938 (12)	O2—Ga2^ii	4.831 (14)
O1—O1^ii	4.938 (12)	O2—Ga3^xxxvii	4.870 (9)
O1—O1^iv	4.938 (12)	O2—Ga3^iv	4.928 (18)
O1—O1^xv	5.0460	O2—O2^v	5.0460
O1—O1^v	5.0460	O2—O2^xv	5.0460
O1—Ga3^xxiv	5.258 (5)	O2—O2^ii	5.117 (19)
O1—Ga3^xxxvi	5.258 (5)	O2—O2^iv	5.117 (19)
O1—Ga3^xxxvii	5.258 (5)	O2—O3^xxiv	5.102 (13)
O1—O3^ix	5.344 (12)	O2—O3^lxii	5.081 (13)
O1—O3^ii	5.344 (12)	O2—O2^liv	5.21 (3)
O1—O3^xxxviii	5.344 (12)	O2—O2^xxviii	5.21 (3)
O1—O3^xxxix	5.297 (13)	O2—Ga2^vi	5.270 (11)
O1—O3^xl	5.297 (13)	O2—La^xxiv	5.284 (13)
O1—O3^xxxv	5.297 (13)	O2—O3^vii	5.313 (18)
O1—O2^xv	5.57 (2)	O2—O2^lxiv	5.25 (4)
O1—O2^xli	5.57 (2)	O2—O3^xii	5.341 (16)
O1—O2^xlii	5.57 (2)	O2—O3^iii	5.34 (2)
O1—O3^xliii	5.639 (18)	O2—O3^xx	5.32 (2)
O1—O3^xviii	5.639 (18)	O2—O3^xlv	5.458 (16)
O1—O3^vi	5.639 (18)	O2—O3^xxviii	5.46 (2)
O1—O1^xliv	5.696 (19)	O2—O3^lxv	5.443 (19)
O1—O1^xlv	5.696 (19)	O2—La^xxx	5.489 (15)
O1—O1^xxvi	5.696 (19)	O2—O1^v	5.57 (2)
O1—O3^vii	5.782 (10)	O2—O2^lxvi	5.56 (2)
O1—O3^xlvi	5.782 (10)	O2—O2^xxxiii	5.56 (2)
O1—O3^xlvii	5.782 (10)	O2—O2^xii	5.754 (15)
O1—La^ii	5.843 (2)	O2—O2^xxv	5.754 (15)
O1—La^x	5.843 (2)	O2—Ga3^lxvi	5.72 (2)
O1—La^xxxi	5.843 (2)	O2—O2^xl	5.762 (7)
O1—O2^xvii	6.177 (9)	O2—O2^xxiv	5.762 (7)
O1—O2^x	6.177 (9)	O2—O2^xiii	5.762 (7)
O1—O2^xxxi	6.177 (9)	O2—Ga3^iii	5.774 (10)
O1—O3^xxvii	6.23 (2)	O2—O2^xiv	5.762 (7)
O3—Ga3^iii	1.807 (10)	O2—La^iv	5.870 (13)
O3—Ga3^vi	2.547 (16)	O2—O2^xxix	6.03 (3)
O3—O3^i	2.62 (3)	O2—O2^xix	6.03 (3)
O3—O3^viii	2.691 (15)	O2—O3^xxvii	6.06 (2)
O3—O3^x	2.691 (15)	O2—O3^xvi	6.07 (2)
O3—O2^iv	2.80 (2)	O2—O3^xviii	6.069 (18)

Symmetry codes: (i) x−y, −y, −z; (ii) y−1, x, −z; (iii) −x+y−1, −x−1, z; (iv) y, x+1, −z; (v) x, y, z+1; (vi) y, x+1, −z−1; (vii) y, x, −z; (viii) −y, x−y, z; (ix) −x, −x+y, −z; (x) −x+y, −x, z; (xi) x+1, y, z; (xii) −x−1, −x+y−1, −z; (xiii) −y−1, x−y, z−1; (xiv) −x+y−1, −x−1, z−1; (xv) x, y, z−1; (xvi) y−1, x, −z−1; (xvii) −y−1, x−y, z; (xviii) −x−1, −x+y, −z−1; (xix) −x+y−1, −x, z; (xx) x−1, y, z; (xxi) x−1, y, z−1; (xxii) x−y−1, −y, −z−1; (xxiii) x+1, y, z+1; (xxiv) −x+y−1, −x−1, z+1; (xxv) −x−1, −x+y, −z; (xxvi) y, x+1, −z+1; (xxvii) x−y, −y, −z+1; (xxviii) −x−1, −x+y, −z+1; (xxix) −y, x−y+1, z; (xxx) −x+y−1, −x, z+1; (xxxi) x, y+1, z; (xxxii) x+1, y+1, z; (xxxiii) −y−1, x−y+1, z; (xxxiv) −y, x−y+1, z+1; (xxxv) x, y+1, z+1; (xxxvi) x+1, y+1, z+1; (xxxvii) y−1, x+1, −z; (xxxviii) x−y, −y+1, −z; (xxxix) −x+y, −x, z+1; (xl) −y−1, x−y, z+1; (xli) −y, x−y+1, z−1; (xlii) −x+y−1, −x, z−1; (xliii) x−y, −y, −z−1; (xliv) y−1, x+1, −z+1; (xlv) y−1, x, −z+1; (xlvi) x−y−1, −y, −z; (xlvii) −x, −x+y+1, −z; (xlviii) y, x, −z−1; (xlix) −x, −x+y, −z−1; (l) x−y+1, −y, −z; (li) x, y−1, z; (lii) x+1, y, z−1; (liii) x, y−1, z−1; (liv) −x−1, −x+y−1, −z+1; (lv) x−y, −y−1, −z; (lvi) −y, x−y, z+1; (lvii) −y, x−y, z−1; (lviii) −x+y, −x, z−1; (lix) −x−1, −x+y−1, −z−1; (lx) −x+y−2, −x−1, z+1; (lxi) −x−2, −x+y−1, −z+1; (lxii) x−1, y, z+1; (lxiii) x−1, y−1, z; (lxiv) −x−2, −x+y−1, −z; (lxv) x−y−1, −y−1, −z; (lxvi) −x+y−2, −x−1, z.